6Q7A

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

6Q7A の概要

• エントリーDOI: 10.2210/pdb6q7a/pdb
• 関連するPDBエントリー: 6Q6M 6Q6O
• 分子名称: Nuclear receptor ROR-gamma, 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole (3 entities in total)
• 機能のキーワード: nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 28013.21

構造登録者

Kallen, J. (登録日: 2018-12-13, 公開日: 2019-11-27, 最終更新日: 2024-01-24)

• 主引用文献: 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; PubMed: 31729873; DOI: 10.1021/acs.jmedchem.9b01291

実験手法

X-RAY DIFFRACTION (2.2 Å)