6Q6O

RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors

Summary for 6Q6O

Entry DOI	10.2210/pdb6q6o/pdb
Related	6Q6M
Descriptor	Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate, CHOLIC ACID, ... (4 entities in total)
Functional Keywords	nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	28817.31
Authors	Kallen, J. (deposition date: 2018-12-11, release date: 2019-11-27, Last modification date: 2024-01-24)
Primary citation	Hoegenauer, K.,Kallen, J.,Jimenez-Nunez, E.,Strang, R.,Ertl, P.,Cooke, N.G.,Hintermann, S.,Voegtle, M.,Betschart, C.,McKay, D.J.J.,Wagner, J.,Ottl, J.,Beerli, C.,Billich, A.,Dawson, J.,Kaupmann, K.,Streiff, M.,Gobeau, N.,Harlfinger, S.,Stringer, R.,Guntermann, C. Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62:10816-10832, 2019 Cited by PubMed: 31729873 DOI: 10.1021/acs.jmedchem.9b01291 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation