タイトル | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 7052-7065, Year 2020 |
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掲載日 | 2020年2月20日 (構造データの登録日) |
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著者 | Huang, F. / Hu, H. / Wang, K. / Peng, C. / Xu, W. / Zhang, Y. / Gao, J. / Liu, Y. / Zhou, H. / Huang, R. ...Huang, F. / Hu, H. / Wang, K. / Peng, C. / Xu, W. / Zhang, Y. / Gao, J. / Liu, Y. / Zhou, H. / Huang, R. / Li, M. / Shen, J. / Xu, Y. |
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リンク | J. Med. Chem. / PubMed:32459096 |
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手法 | X線回折 |
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解像度 | 2.1 - 2.64 Å |
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構造データ | PDB-6m06: Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6m07: Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.64 Å PDB-6m08: Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. 手法: X-RAY DIFFRACTION / 解像度: 2.19 Å |
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化合物 | ChemComp-BWF: (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
ChemComp-BWO: (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
ChemComp-BWL: (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
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由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE / Lp-PLA2 / Covalent inhibitor / Complex structure / Serine phospholipase / Serine phospholipase. |
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