タイトル | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. |
---|
ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 222, Page 113584-113584, Year 2021 |
---|
掲載日 | 2021年1月11日 (構造データの登録日) |
---|
著者 | Vuong, W. / Fischer, C. / Khan, M.B. / van Belkum, M.J. / Lamer, T. / Willoughby, K.D. / Lu, J. / Arutyunova, E. / Joyce, M.A. / Saffran, H.A. ...Vuong, W. / Fischer, C. / Khan, M.B. / van Belkum, M.J. / Lamer, T. / Willoughby, K.D. / Lu, J. / Arutyunova, E. / Joyce, M.A. / Saffran, H.A. / Shields, J.A. / Young, H.S. / Nieman, J.A. / Tyrrell, D.L. / Lemieux, M.J. / Vederas, J.C. |
---|
リンク | Eur. J. Med. Chem. / PubMed:34118724 |
---|
手法 | X線回折 |
---|
解像度 | 1.85 - 2 Å |
---|
構造データ | PDB-7lco: Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7lcr: Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-7lcs: Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-7lct: Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-7ldl: Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability 手法: X-RAY DIFFRACTION / 解像度: 2 Å |
---|
化合物 | ChemComp-XTJ: (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
ChemComp-XTM: N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
ChemComp-XTP: benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
ChemComp-XU4: N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide
ChemComp-XV4: N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
|
---|
由来 | - severe acute respiratory syndrome coronavirus 2 (ウイルス)
|
---|
キーワード | VIRAL PROTEIN / HYDROLASE/INHIBITOR / COVID-19 / SARS-CoV-2 / 3CLpro / coronavirus / main protease / kinetics / SARS / Hydrolase-Hydrolase Inhibitor complex / HYDROLASE / HYDROLASE-INHIBITOR complex |
---|