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Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788

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Protein Data Bank Japan2024-10-23 更新2026-03-21 收录
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Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide Authors: Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. Deposit date: 2020-01-21 Release date: 2020-05-27 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020

人c-KIT激酶结构域与共价结合于Cys788位点的环状亚氨酸酯抑制剂共晶结构 描述符:肥大细胞/干细胞生长因子受体Kit、肥大细胞/干细胞生长因子受体Kit、~N-(4,4-二甲基-2-丙基-3,1-苯并恶嗪-6-基)-2-[3-甲氧基-5-(7-甲氧基喹啉-4-基)氧基吡啶-2-基]乙酰胺 作者:Schimpl, M、McAuley, K、Hoyt, E.A、Thomas, M、Bodnarchuk, M.S、Lewis, H.J、Barratt, D、Deery, M.J、Ogg, D.J、Bernardes, G.J.L、Ward, R.A、Kettle, J.G、Waring, M.J 提交日期:2020-01-21 发布日期:2020-05-27 最后修改日期:2024-10-23 测试方法:X射线衍射(分辨率2.15 Å) 引用文献:炔基苯并恶嗪与二氢喹唑啉类半胱氨酸靶向共价弹头及其在选择性不可逆激酶抑制剂发现中的应用,《美国化学会志》(J. Am. Chem. Soc.),142卷,2020年
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2020-01-21
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