タイトル | Discovery and Optimization of Highly Selective Inhibitors of CDK5. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 65, Page 3575-3596, Year 2022 |
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掲載日 | 2021年9月7日 (構造データの登録日) |
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著者 | Daniels, M.H. / Malojcic, G. / Clugston, S.L. / Williams, B. / Coeffet-Le Gal, M. / Pan-Zhou, X.R. / Venkatachalan, S. / Harmange, J.C. / Ledeboer, M. |
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リンク | J. Med. Chem. / PubMed:35143203 |
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手法 | X線回折 |
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解像度 | 1.53 - 3.05 Å |
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構造データ | PDB-7vdp: The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-7vdq: The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 手法: X-RAY DIFFRACTION / 解像度: 2.91 Å PDB-7vdr: The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-7vds: The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 手法: X-RAY DIFFRACTION / 解像度: 3.05 Å PDB-7vdu: The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å |
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化合物 | ChemComp-65L: [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
ChemComp-64V: 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid
ChemComp-63I: (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
ChemComp-61U: 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / CDK5 / p25 |
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