6Q6M

RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors

6Q6M の概要

• エントリーDOI: 10.2210/pdb6q6m/pdb
• 分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate (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: 27981.79

構造登録者

Kallen, J. (登録日: 2018-12-11, 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 (2.35 Å)