タイトル | A novel class of selective CK2 inhibitors targeting its open hinge conformation. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 195, Page 112267-112267, Year 2020 |
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掲載日 | 2019年4月8日 (構造データの登録日) |
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著者 | Dalle Vedove, A. / Zonta, F. / Zanforlin, E. / Demitri, N. / Ribaudo, G. / Cazzanelli, G. / Ongaro, A. / Sarno, S. / Zagotto, G. / Battistutta, R. ...Dalle Vedove, A. / Zonta, F. / Zanforlin, E. / Demitri, N. / Ribaudo, G. / Cazzanelli, G. / Ongaro, A. / Sarno, S. / Zagotto, G. / Battistutta, R. / Ruzzene, M. / Lolli, G. |
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リンク | Eur. J. Med. Chem. / PubMed:32283296 |
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手法 | X線回折 |
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解像度 | 1.5 - 2.05 Å |
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構造データ | PDB-6rb1: Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6rcb: Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-6rcm: Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-6rfe: Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-6rff: Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å |
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化合物 | ChemComp-JWQ: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
ChemComp-JYZ: (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
ChemComp-K0N: (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
ChemComp-K0Z: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
ChemComp-K1B: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / kinase domain |
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