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)

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) Descriptor: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID Authors: 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. Deposit date: 2015-07-09 Release date: 2015-08-12 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.603 Å) Cite: 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, 2015

人类C类G蛋白偶联受体（G Protein-Coupled Receptor, GPCR）代谢型谷氨酸受体5（metabotropic glutamate receptor 5, mGlu5）跨膜结构域与负变构调节剂3-氯-5-[6-(5-氟吡啶-2-基)嘧啶-4-基]苯甲腈（HTL14242）形成的复合物结构。描述组分：3-氯-5-[6-(5-氟吡啶-2-基)嘧啶-4-基]苯甲腈、代谢型谷氨酸受体5、内溶素、代谢型谷氨酸受体5、油酸。作者：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。提交日期：2015年7月9日；发布日期：2015年8月12日；最后修改日期：2024年11月20日。实验方法：X射线衍射（分辨率2.603 Å）。引用文献：《基于片段与结构的C类G蛋白偶联受体药物发现：mGlu5负变构调节剂HTL14242（3-氯-5-[6-(5-氟吡啶-2-基)嘧啶-4-基]苯甲腈）的发现》，《药物化学杂志》，58卷，2015年。