タイトル | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 59, Page 7188-7211, Year 2016 |
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掲載日 | 2015年5月12日 (構造データの登録日) |
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著者 | Kilchmann, F. / Marcaida, M.J. / Kotak, S. / Schick, T. / Boss, S.D. / Awale, M. / Gonczy, P. / Reymond, J.L. |
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リンク | J. Med. Chem. / PubMed:27391133 |
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手法 | X線回折 |
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解像度 | 2.8 - 3 Å |
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構造データ | PDB-4zs0: Human Aurora A catalytic domain bound to SB-6-OH 手法: X-RAY DIFFRACTION / 解像度: 3.0 Å PDB-4ztq: Human Aurora A catalytic domain bound to FK932 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-4ztr: Human Aurora A catalytic domain bound to FK1141 手法: X-RAY DIFFRACTION / 解像度: 2.85 Å PDB-4zts: Human Aurora A catalytic domain bound to FK1142 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å |
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化合物 | ChemComp-4QV: 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one
ChemComp-4RM: (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
ChemComp-4RJ: 6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid
ChemComp-4RK: (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE (転移酵素) / Aurora (オーロラ) / kinase (キナーゼ) / inhibitor (酵素阻害剤) |
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