Dataset related to publication: Discovery of Human Constitutive androstane receptor (CAR) agonists with imidazo[1,2-a]pyridine structure
Creators
- 1. Department of Internal Medicine VIII, University Hospital Tuebingen, Otfried-Müller-Strasse 14, Tuebingen DE 72076, Germany.
- 2. Department of Internal Medicine VIII, University Hospital of Tübingen, 72076, Tübingen, Germany; School of Pharmacy, Faculty of Health Sciences, University of Eastern Finland, 70211, Kuopio, Finland, and Department of Pharmaceutical and Medicinal Chemistry, Institute of Pharmaceutical Sciences, Eberhard Karls Universität, 72076, Tübingen, Germany.
Description
MD simulation data related to the publication Ivana Mejdrová et al.:Discovery of Human Constitutive androstane receptor (CAR) agonists with imidazo[1,2-a]pyridine structure
Individual .zip files contain raw-desmond trajectories (trj. zip files)
individual raw-data.zip files corresponde to the trajectory analysis.
5us_XVP_619 corresponding name in the manuscript is ; 5us_XVP_37
5us_XVP_676 corresponding name in the manuscript is ; 5us_XVP_39
5us_XVP_693 corresponding name in the manuscript is ; 5us_XVP_40
5us_XVP_763 corresponding name in the manuscript is ; 5us_XVP_48
5us_XVP_CIT corresponding name in the manuscript is ; 5us_XVP_CITCO
Files
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Data is made open access upon publication of the manuscript
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