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

Xue, Y.,Oster, L. (deposition date: 2015-07-13, release date: 2015-10-21, Last modification date: 2018-05-16)

• 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; PubMed: 26291341; DOI: 10.1021/ACS.JMEDCHEM.5B01078

Experimental method

X-RAY DIFFRACTION (2.25 Å)