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
Summary for 7TRB
Entry DOI | 10.2210/pdb7trb/pdb |
Descriptor | 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) |
Functional Keywords | nhr, fxr, nuclear protein |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 4 |
Total formula weight | 63262.38 |
Authors | Khan, J.A.,Ruzanov, M. (deposition date: 2022-01-28, release date: 2022-06-29, Last modification date: 2023-10-18) |
Primary citation | 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 Cited by PubMed: 35704802DOI: 10.1021/acs.jmedchem.2c00165 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.15 Å) |
Structure validation
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