5A86
Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist
Summary for 5A86
Entry DOI | 10.2210/pdb5a86/pdb |
Descriptor | NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2, NUCLEAR RECEPTOR COACTIVATOR 1, 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide, ... (4 entities in total) |
Functional Keywords | signaling protein, pxr ligand, pxr agonist, cyp3a4 induction, nuclear receptor |
Biological source | HOMO SAPIENS (HUMAN) More |
Cellular location | Nucleus : O75469 Q15788 |
Total number of polymer chains | 4 |
Total formula weight | 77181.86 |
Authors | |
Primary citation | Hennessy, E.J.,Oza, V.B.,Adam, A.,Byth, K.,Castriotta, L.,Grewal, G.,Hamilton, G.,Kamhi, V.M.,Lewis, P.,Li, D.,Lyne, P.D.,Oster, L.,Rooney, M.T.,Saeh, J.C.,Sha, L.,Su, Q.,Wen, S.,Xue, Y.,Yang, B. Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity. J.Med.Chem., 58:7057-, 2015 Cited by PubMed: 26291341DOI: 10.1021/ACS.JMEDCHEM.5B01078 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
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