EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	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.
ジャーナル・号・ページ	J. Med. Chem., Vol. 61, Page 8797-8810, Year 2018
掲載日	2018年6月7日 (構造データの登録日)
著者	Kettle, J.G. / Anjum, R. / Barry, E. / Bhavsar, D. / Brown, C. / Boyd, S. / Campbell, A. / Goldberg, K. / Grondine, M. / Guichard, S. ...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.
リンク	J. Med. Chem. / PubMed:30204441
手法	X線回折
解像度	1.52 - 2.33 Å
構造データ	PDB-6gqj: Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18) 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-6gqk: Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23) 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-6gql: Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-6gqm: Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6gqo: Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 18) 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-6gqp: Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-6gqq: Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å
化合物	ChemComp-F82: 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide ChemComp-HOH: WATER / 水 ChemComp-F88: ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide ChemComp-F8B: ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide ChemComp-F8H: ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide ChemComp-CL: Unknown entry / クロリド / 塩化物
由来	homo sapiens (ヒト)
キーワード	SIGNALING PROTEIN / receptor tyrosine kinase (受容体型チロシンキナーゼ) / inhibitor (酵素阻害剤) / oncology (腫瘍学) / gastrointestinal stromal tumour (消化管間質腫瘍) / structure-based drug design (医薬品設計)