5A86

Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist

5A86 の概要

• エントリーDOI: 10.2210/pdb5a86/pdb
• 分子名称: 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)
• 機能のキーワード: signaling protein, pxr ligand, pxr agonist, cyp3a4 induction, nuclear receptor
• 由来する生物種: HOMO SAPIENS (HUMAN); 詳細
• 細胞内の位置: Nucleus : O75469 Q15788
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 77181.86

構造登録者

Xue, Y.,Oster, L. (登録日: 2015-07-13, 公開日: 2015-10-21, 最終更新日: 2024-05-08)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.25 Å)