6NAD

Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt

Summary for 6NAD

Entry DOI	10.2210/pdb6nad/pdb
Descriptor	Nuclear receptor ROR-gamma, (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol (2 entities in total)
Functional Keywords	nuclear receptor rorgt, nuclear protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	57871.66
Authors	Spurlino, J.,Milligan, C. (deposition date: 2018-12-05, release date: 2019-05-08, Last modification date: 2024-03-13)
Primary citation	Tanis, V.M.,Venkatesan, H.,Cummings, M.D.,Albers, M.,Kent Barbay, J.,Herman, K.,Kummer, D.A.,Milligan, C.,Nelen, M.I.,Nishimura, R.,Schlueter, T.,Scott, B.,Spurlino, J.,Wolin, R.,Woods, C.,Xue, X.,Edwards, J.P.,Fourie, A.M.,Leonard, K. 3-Substituted Quinolines as ROR gamma t Inverse Agonists. Bioorg.Med.Chem.Lett., 29:1463-1470, 2019 Cited by PubMed: 31010722 DOI: 10.1016/j.bmcl.2019.04.021 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.90197076582 Å)

Structure validation