Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1)

Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1) Descriptor: Histone-lysine N-methyltransferase EHMT1, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ... Authors: Park, K.-S, Kumar, P. Deposit date: 2021-12-15 Release date: 2022-07-06 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Discovery of the First-in-Class G9a/GLP Covalent Inhibitors. J.Med.Chem., 65, 2022人类GLP SET结构域 (SET-domain)（EHMT1）与共价抑制剂 (covalent inhibitor)（化合物1）的复合物结构 描述：组蛋白赖氨酸N-甲基转移酶 (Histone-lysine N-methyltransferase) EHMT1，N-(6-甲氧基-4-{[1-(异丙基 (propan-2-yl))哌啶-4-基 (piperidin-4-yl)]氨基}-7-[3-(吡咯烷-1-基 (pyrrolidin-1-yl))丙氧基 (propoxy)]喹唑啉-2-基 (quinazolin-2-yl))丙-2-烯酰胺 (prop-2-enamide)，N-(6-甲氧基-4-{[1-(异丙基)哌啶-4-基]氨基}-7-[3-(吡咯烷-1-基)丙氧基]喹唑啉-2-基)丙酰胺 (propanamide)，…… 作者：Park, K.-S、Kumar, P. 沉积日期：2021-12-15 发布日期：2022-07-06 最后修改日期：2024-11-06 实验方法：X射线衍射（分辨率2.85埃） 引用文献：《首创新型G9a/GLP共价抑制剂的发现》，J.Med.Chem., 65, 2022