7TRB

CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE

7TRB の概要

• エントリーDOI: 10.2210/pdb7trb/pdb
• 分子名称: Bile acid receptor, co-activator, (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, ... (4 entities in total)
• 機能のキーワード: nhr, fxr, nuclear protein
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 63262.38

構造登録者

Khan, J.A.,Ruzanov, M. (登録日: 2022-01-28, 公開日: 2022-06-29, 最終更新日: 2023-10-18)

• 主引用文献: Nara, S.J.,Jogi, S.,Cheruku, S.,Kandhasamy, S.,Jaipuri, F.,Kathi, P.K.,Reddy, S.,Sarodaya, S.,Cook, E.M.,Wang, T.,Sitkoff, D.,Rossi, K.A.,Ruzanov, M.,Kiefer, S.E.,Khan, J.A.,Gao, M.,Reddy, S.,Sivaprasad Lvj, S.,Sane, R.,Mosure, K.,Zhuo, X.,Cao, G.G.,Ziegler, M.,Azzara, A.,Krupinski, J.,Soars, M.G.,Ellsworth, B.A.,Wacker, D.A.; Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.; J.Med.Chem., 65:8948-8960, 2022; PubMed: 35704802; DOI: 10.1021/acs.jmedchem.2c00165

実験手法

X-RAY DIFFRACTION (2.15 Å)