8FAV

HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET

8FAV の概要

• エントリーDOI: 10.2210/pdb8fav/pdb
• 分子名称: Nuclear receptor ROR-gamma, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, ... (5 entities in total)
• 機能のキーワード: rorc2, rorgammat, structure-based design, macrocyclization, topical delivery, dna binding 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: 62484.35

構造登録者

Vajdos, F.F. (登録日: 2022-11-28, 公開日: 2023-03-01)

• 主引用文献: Schnute, M.E.,Trujillo, J.I.,Lee, K.L.,Unwalla, R.,Vajdos, F.F.,Kauppi, B.,Nuhant, P.,Flick, A.C.,Crouse, K.K.,Zhao, Y.,Samuel, A.,Lombardo, V.,Taylor, A.P.,Brault, A.L.,Knafels, J.D.,Vazquez, M.L.,Berstein, G.; Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.; Acs Med.Chem.Lett., 14:191-198, 2023; PubMed: 36793423; DOI: 10.1021/acsmedchemlett.2c00500

実験手法

X-RAY DIFFRACTION (1.85 Å)