6GQO

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

6GQO の概要

• エントリーDOI: 10.2210/pdb6gqo/pdb
• 分子名称: Vascular endothelial growth factor receptor 2, 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide (3 entities in total)
• 機能のキーワード: receptor tyrosine kinase, inhibitor, oncology, gastrointestinal stromal tumour, structure-based drug design, signaling protein
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37467.12

構造登録者

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. (登録日: 2018-06-07, 公開日: 2018-09-19, 最終更新日: 2024-01-17)

• 主引用文献: Kettle, J.G.,Anjum, R.,Barry, E.,Bhavsar, D.,Brown, C.,Boyd, S.,Campbell, A.,Goldberg, K.,Grondine, M.,Guichard, S.,Hardy, C.J.,Hunt, T.,Jones, R.D.O.,Li, X.,Moleva, O.,Ogg, D.,Overman, R.C.,Packer, M.J.,Pearson, S.,Schimpl, M.,Shao, W.,Smith, A.,Smith, J.M.,Stead, D.,Stokes, S.,Tucker, M.,Ye, Y.; 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., 61:8797-8810, 2018; PubMed: 30204441; DOI: 10.1021/acs.jmedchem.8b00938

実験手法

X-RAY DIFFRACTION (1.87 Å)