7R7H
Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors
Summary for 7R7H
Entry DOI | 10.2210/pdb7r7h/pdb |
Descriptor | 3C-like proteinase, N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (3 entities in total) |
Functional Keywords | viral protein, hydrolase-hydrolase inhibitor complex, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 2 |
Total formula weight | 68534.14 |
Authors | Khan, M.B.,Lu, J.,Young, H.S.,Lemieux, M.J. (deposition date: 2021-06-24, release date: 2021-09-01, Last modification date: 2023-10-18) |
Primary citation | Bai, B.,Arutyunova, E.,Khan, M.B.,Lu, J.,Joyce, M.A.,Saffran, H.A.,Shields, J.A.,Kandadai, A.S.,Belovodskiy, A.,Hena, M.,Vuong, W.,Lamer, T.,Young, H.S.,Vederas, J.C.,Tyrrell, D.L.,Lemieux, M.J.,Nieman, J.A. Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors. Rsc Med Chem, 12:1722-1730, 2021 Cited by PubMed: 34778773DOI: 10.1039/d1md00247c PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.15 Å) |
Structure validation
Download full validation report