6GQP
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
Summary for 6GQP
Entry DOI | 10.2210/pdb6gqp/pdb |
Descriptor | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide (3 entities in total) |
Functional Keywords | receptor tyrosine kinase, inhibitor, oncology, gastrointestinal stromal tumour, structure-based drug design, signaling protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 37423.07 |
Authors | Hardy, C.J.,Schimpl, M.,Ogg, D.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. (deposition date: 2018-06-07, release date: 2018-09-19, Last modification date: 2024-01-17) |
Primary citation | 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 Cited by PubMed: 30204441DOI: 10.1021/acs.jmedchem.8b00938 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.09 Å) |
Structure validation
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