6NAD

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

6NAD の概要

• エントリーDOI: 10.2210/pdb6nad/pdb
• 分子名称: 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)
• 機能のキーワード: nuclear receptor rorgt, nuclear protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 57871.66

構造登録者

Spurlino, J.,Milligan, C. (登録日: 2018-12-05, 公開日: 2019-05-08, 最終更新日: 2024-03-13)

• 主引用文献: 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; PubMed: 31010722; DOI: 10.1016/j.bmcl.2019.04.021

実験手法

X-RAY DIFFRACTION (2.90197076582 Å)