Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one

Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one Descriptor: (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR Authors: McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. Deposit date: 2014-03-12 Release date: 2014-05-28 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014

复合物结构：人源性间变性淋巴瘤激酶（Anaplastic Lymphoma Kinase, ALK）与抑制剂(10R)-7-氨基-3-环丙基-12-氟-1,10,16-三甲基-16,17-二氢-1H-8,4-(亚甲基)吡唑并[4,3-h][2,5,11]苯并氧二氮杂环十四烷-15(10H)-酮的复合物结构。
描述物：(10R)-7-氨基-3-环丙基-12-氟-1,10,16-三甲基-16,17-二氢-1H-8,4-(亚甲基)吡唑并[4,3-h][2,5,11]苯并氧二氮杂环十四烷-15(10H)-酮，ALK酪氨酸激酶受体（ALK Tyrosine Kinase Receptor）。
作者：McTigue, M.A.、Deng, Y.L.、Liu, W.、Brooun, A.、Stewart, A.E.
提交日期：2014-03-12
发布日期：2014-05-28
最后修改日期：2023-12-20
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.03埃（2.03 Å））
引用文献：《(10R)-7-氨基-12-氟-2,10,16-三甲基-15-氧代-10,15,16,17-四氢-2H-8,4-(亚甲基)吡唑并[4,3-h][2,5,11]苯并氧二氮杂环十四烷-3-甲腈（Pf-06463922）：一种具有临床前脑暴露活性且对ALK耐药突变具有广谱强效活性的ALK/ROS1大环类抑制剂》，《药物化学杂志（J.Med.Chem.）》，2014年，第57卷。