Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.

Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... Authors: Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. Deposit date: 2010-11-09 Release date: 2011-04-27 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011

本数据集收录了分辨率达2.2 Å的大鼠GluA2受体（Rat GluA2 receptor）配体结合域与谷氨酸（GLUTAMIC ACID）结合的N,N-二甲基-4-(3-(三氟甲基)-4,5,6,7-四氢-1H-吲唑-1-基)苯甲酰胺共晶复合物的晶体结构。描述符：谷氨酸受体2（GLUTAMATE RECEPTOR 2）、谷氨酸（GLUTAMIC ACID）、N,N-二甲基-4-[3-(三氟甲基)-4,5,6,7-四氢-1H-吲唑-1-基]苯甲酰胺（N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE）等。作者：Ward, S.E、Harries, M、Aldegheri, L、Austin, N.E、Ballantine, S、Ballini, E、Bradley, D.M、Bax, B.D、Clarke, B.P、Harris, A.J、Harrison, S.A、Melarange, R.A、Mookherjee, C、Mosley, J、DalNegro, G、Oliosi, B、Smith, K.J、Thewlis, K.M、Woollard, P.M、Yusaf, S.P。沉积日期：2010-11-09，发布日期：2011-04-27，最后修改日期：2024-11-20。结构解析方法：X射线衍射（X-RAY DIFFRACTION），解析分辨率为1.55 Å。引用文献：《膜结合离子通道靶点的先导化合物优化与晶体学研究整合：新型AMPA受体（Ampa Receptor）正变构调节剂的发现》，《药物化学杂志》（J.Med.Chem.），第54卷，2011年