Crystal structure of human DPP-IV in complex with BMS-744891

Crystal structure of human DPP-IV in complex with BMS-744891 Descriptor: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 Authors: Klei, H.E. Deposit date: 2013-07-08 Release date: 2013-09-04 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013

人类DPP-IV（二肽基肽酶4，Dipeptidyl peptidase 4）与BMS-744891复合物的晶体结构。相关描述信息：配体为3-(氨基甲基)-4-(2,4-二氯苯基)-6-(2-甲氧基乙基)-2-甲基-6,7-二氢-5H-吡咯并[3,4-b]吡啶-5-酮，靶酶为二肽基肽酶4。作者：Klei, H.E.；数据存放日期：2013-07-08；发布日期：2013-09-04；最后修改日期：2024-10-30；解析方法：X射线衍射（分辨率2.43埃）。引用文献：《5-氧代吡咯并吡啶类DPP4抑制剂的活性、选择性及成药性优化得到临床候选化合物(Sa)-2-(3-(氨基甲基)-4-(2,4-二氯苯基)-2-甲基-5-氧代-5H-吡咯并[3,4-b]吡啶-6(7H)-基)-N,N-二甲基乙酰胺（BMS-767778）》，刊载于J.Med.Chem., 2013年，第56卷。