The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide

The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide Descriptor: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide Authors: Zhang, Z.M, Wang, Y.J. Deposit date: 2023-04-24 Release date: 2023-09-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.09192247704 Å) Cite: Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023

TrkA(G595R)激酶与N-(3-环丙基-5-((4-甲基哌嗪-1-基)甲基)苯基)-4,6-甲基-14-氧代-5-氧杂-13-氮杂-1(3,6)-咪唑并[1,2-b]哒嗪-4(1,3)-苯并环十四烷-2-炔-4,5-甲酰胺结合的晶体结构。
描述符：高亲和力神经生长因子受体（High affinity nerve growth factor receptor）
作者：Zhang Z.M.、Wang Y.J.
存入日期：2023-04-24
发布日期：2023-09-20
最后修改日期：2023-10-11
测定方法：X射线衍射（X-RAY DIFFRACTION），分辨率为2.09192247704埃（Å）
引用文献：《针对溶剂前沿、xDFG及门户突变活性提升的第三代II型大环TRK抑制剂的基于结构优化》，《药物化学杂志》（J.Med.Chem.），2023年，第66卷