Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one

Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one Descriptor: 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK Authors: Kuglstatter, A, Wong, A. Deposit date: 2014-02-14 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015

BTK激酶结构域与6-环丙基-2-[3-[5-[[5-(4-乙基哌嗪-1-基)-2-吡啶基]氨基]-1-甲基-6-氧代-3-吡啶基]-2-(羟甲基)苯基]-8-氟异喹啉-1-酮复合物的晶体结构
描述项：6-环丙基-2-[3-(5-{[5-(4-乙基哌嗪-1-基)吡啶-2-基]氨基}-1-甲基-6-氧代-1,6-二氢吡啶-3-基)-2-(羟甲基)苯基]-8-氟异喹啉-1(2H)-酮、二甲基亚砜（DIMETHYL SULFOXIDE）以及酪氨酸蛋白激酶BTK（Tyrosine-protein kinase BTK）
作者：Kuglstatter, A、Wong, A.
沉积日期：2014-02-14
发布日期：2014-05-14
最后修改日期：2023-09-20
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.95埃）
引用文献：《用于类风湿关节炎治疗的强效选择性布鲁顿酪氨酸激酶（Bruton's Tyrosine Kinase, BTK）抑制剂RN486的基于结构的药物设计》，发表于《药物化学杂志》（J.Med.Chem.），2015年，第58卷