5CGD

Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242)

5CGD の概要

• エントリーDOI: 10.2210/pdb5cgd/pdb
• 関連するPDBエントリー: 4OO9 5CGC
• 分子名称: Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID, 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, ... (4 entities in total)
• 機能のキーワード: 7tm, receptor, gpcr, membrane-protein, signaling protein
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 51243.09

構造登録者

Christopher, J.A.,Aves, S.J.,Bennett, K.A.,Dore, A.S.,Errey, J.C.,Jazayeri, A.,Marshall, F.H.,Okrasa, K.,Serrano-Vega, M.J.,Tehan, B.G.,Wiggin, G.R.,Congreve, M. (登録日: 2015-07-09, 公開日: 2015-08-12, 最終更新日: 2024-01-10)

• 主引用文献: Christopher, J.A.,Aves, S.J.,Bennett, K.A.,Dore, A.S.,Errey, J.C.,Jazayeri, A.,Marshall, F.H.,Okrasa, K.,Serrano-Vega, M.J.,Tehan, B.G.,Wiggin, G.R.,Congreve, M.; Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).; J.Med.Chem., 58:6653-6664, 2015; PubMed: 26225459; DOI: 10.1021/acs.jmedchem.5b00892

実験手法

X-RAY DIFFRACTION (2.603 Å)