6Q7A

RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors

Summary for 6Q7A

Entry DOI	10.2210/pdb6q7a/pdb
Related	6Q6M 6Q6O
Descriptor	Nuclear receptor ROR-gamma, 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole (3 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	28013.21
Authors	Kallen, J. (deposition date: 2018-12-13, 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 (2.2 Å)

Structure validation