Dataset Open Access
Uploaded data set contains the mass spec labelling data covalent inhibitor campaign against TBXTA-C006. The data was collected at Oxford and it contains the Structure IDs we use, the SMILE strings, and the %-labelling of protein by mass spec at 5 uM (10 minutes or 60 minutes) or 50 uM (60 minutes). A more detailed protocol is given below.
Protein is TBXTA-C006 (13 mg/ml 130x final concentration 0.1 mg/ml or 5 uM) Buffer is 10 mM Hepes pH 7.5, 150 mM NaCl, 0.5 mM TCEP (freshly prepared)
Compounds are in stock plates at 100 mM, Initial 1:40 dilution into buffer (50 uM) and further 1:10 dilution for Low conc (5uM)
1 ul of compound is added to 50 ul of protein for final 50 uM and 5 uM conc.
At 1hr (or less) 5ul is removed and added to 50 ul of MS buffer.