Dataset related to publication: Discovery of Human Constitutive androstane receptor (CAR) agonists with imidazo[1,2-a]pyridine structure

Rashidian, Azam,Department of Internal Medicine VIII, University Hospital Tuebingen, Otfried-Müller-Strasse 14, Tuebingen DE 72076, Germany.; Kronenberger, Thales,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.

Date

2022-08-18

Author(s)

Rashidian, Azam,Department of Internal Medicine VIII, University Hospital Tuebingen, Otfried-Müller-Strasse 14, Tuebingen DE 72076, Germany.

Kronenberger, Thales,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.

Unique identifier

10.5281/zenodo.5772317

Metadata

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Research data

Citation

Rashidian, Azam,Department of Internal Medicine VIII, University Hospital Tuebingen, Otfried-Müller-Strasse 14, Tuebingen DE 72076, Germany.. Kronenberger, Thales,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.. , Dataset related to publication: Discovery of Human Constitutive androstane receptor (CAR) agonists with imidazo[1,2-a]pyridine structure, 2022, 10.5281/zenodo.5772317.

Abstract

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. zipfiles) individual raw-data.zip files corresponde to the trajectory analysis. 5us_XVP_619corresponding name in the manuscript is ;5us_XVP_37 5us_XVP_676corresponding name in the manuscript is ;5us_XVP_39 5us_XVP_693corresponding name in the manuscript is ;5us_XVP_40 5us_XVP_763corresponding name in the manuscript is ;5us_XVP_48 5us_XVP_CITcorresponding name in the manuscript is ;5us_XVP_CITCO