Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18)

Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18) Descriptor: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Vascular endothelial growth factor receptor 2 Authors: Ogg, D.J, Schimpl, M, Hardy, C.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. Deposit date: 2018-06-07 Release date: 2018-09-19 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018

人源KDR（血管内皮生长因子受体2，VEGFR2）激酶结构域与AZD3229类似物（化合物18）结合的晶体结构。配体描述：2-[4-(6,7-二甲氧基喹唑啉-4-基)氧基-2-甲氧基苯基]-N-(1-异丙基吡唑-4-基)乙酰胺。作者：Ogg, D.J、Schimpl, M、Hardy, C.J、Overman, R.C、Packer, M.J、Kettle, J.G、Anjum, R、Barry, E、Bhavsar, D、Brown, C、Campbell, A、Goldberg, K、Grondine, M、Guichard, S、Hunt, T、Jones, O、Li, X、Moleva, O、Pearson, S、Shao, W、Smith, A、Smith, J、Stead, D、Stokes, S、Tucker, M、Ye, Y。存储日期：2018-06-07；发布日期：2018-09-19；最后修改日期：2024-01-17。实验方法：X射线衍射（分辨率1.87 Å）。引用文献：《N-(4-{[5-氟-7-(2-甲氧基乙氧基)喹唑啉-4-基]氨基}苯基)-2-[4-(异丙基)-1H-1,2,3-三唑-1-基]乙酰胺（AZD3229）：一种用于治疗胃肠道间质瘤的强效泛KIT突变体抑制剂》，《Journal of Medicinal Chemistry》，2018年，第61卷。