Crystal structure of Dot1L in complex with inhibitor CPD7 [N-(3-(((R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)(methyl)amino)propyl)-2-(3-(2-chloro-3-(2-methylpyridin-3-yl)benzo[b]thiophen-5-yl)ureido)acetamide]

Crystal structure of Dot1L in complex with inhibitor CPD7 [N-(3-(((R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)(methyl)amino)propyl)-2-(3-(2-chloro-3-(2-methylpyridin-3-yl)benzo[b]thiophen-5-yl)ureido)acetamide] Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide, ... Authors: Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C. Deposit date: 2017-01-18 Release date: 2017-03-22 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett, 8, 2017

与抑制剂CPD7结合的Dot1L晶体结构 [N-(3-(((R)-1-(7H-吡咯并[2,3-d]嘧啶-4-基)哌啶-3-基)(甲基)氨基)丙基)-2-(3-(2-氯-3-(2-甲基吡啶-3-基)苯并[b]噻吩-5-基)脲基)乙酰胺] 描述项：组蛋白赖氨酸N-甲基转移酶（Histone-lysine N-methyltransferase），H3赖氨酸79特异性，N~2~-{[2-氯-3-(2-甲基吡啶-3-基)-1-苯并噻吩-5-基]氨基甲酰基}-N-(3-{甲基[(3R)-1-(5H-吡咯并[2,3-d]嘧啶-4-基)哌啶-3-基]氨基}丙基)甘氨酰胺，…… 作者：Be, C、Koch, E、Gaul, C、Stauffer, F、Moebitz, H、Scheufler, C。入库日期：2017年1月18日，发布日期：2017年3月22日，最后修改日期：2024年1月17日。检测方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.19埃。引用文献：《基于片段连接策略发现强效、选择性且结构新颖的Dot1L抑制剂》。ACS Med Chem Lett, 8, 2017