5BQI

Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain

5BQI の概要

• エントリーDOI: 10.2210/pdb5bqi/pdb
• 分子名称: Prostaglandin E synthase, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... (7 entities in total)
• 機能のキーワード: mpges-1, enzyme, integral membrane protein, targetname, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 18993.40

構造登録者

Fisher, M.J.,Schiffler, M.A.,Kuklish, S.L.,Antonysamy, S.,Luz, J.G. (登録日: 2015-05-29, 公開日: 2016-04-13, 最終更新日: 2024-03-06)

• 主引用文献: Schiffler, M.A.,Antonysamy, S.,Bhattachar, S.N.,Campanale, K.M.,Chandrasekhar, S.,Condon, B.,Desai, P.V.,Fisher, M.J.,Groshong, C.,Harvey, A.,Hickey, M.J.,Hughes, N.E.,Jones, S.A.,Kim, E.J.,Kuklish, S.L.,Luz, J.G.,Norman, B.H.,Rathmell, R.E.,Rizzo, J.R.,Seng, T.W.,Thibodeaux, S.J.,Woods, T.A.,York, J.S.,Yu, X.P.; Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.; J.Med.Chem., 59:194-205, 2016; PubMed: 26653180; DOI: 10.1021/acs.jmedchem.5b01249

実験手法

X-RAY DIFFRACTION (1.88 Å)