| タイトル | Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors. |
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| ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 259, Page 115667-115667, Year 2023 |
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| 掲載日 | 2022年12月16日 (構造データの登録日) |
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著者 | Tan, B. / Sacco, M. / Tan, H. / Li, K. / Joyce, R. / Zhang, X. / Chen, Y. / Wang, J. |
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リンク | Eur. J. Med. Chem. / PubMed:37482021 |
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| 手法 | X線回折 |
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| 解像度 | 2.51 - 2.54 Å |
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| 構造データ | PDB-8fiv: Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R 手法: X-RAY DIFFRACTION / 解像度: 2.51 Å PDB-8fiw: Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221 手法: X-RAY DIFFRACTION / 解像度: 2.54 Å |
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| 化合物 | ChemComp-Y0I: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide
ChemComp-Y0E: N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
ChemComp-Y1E: N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
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| 由来 |  severe acute respiratory syndrome coronavirus 2 (ウイルス)
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キーワード | VIRAL PROTEIN / HYDROLASE/INHIBITOR / SARS-CoV-2 Mpro / Main protease / HYDROLASE-INHIBITOR complex |
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