7LCS
Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability
Summary for 7LCS
Entry DOI | 10.2210/pdb7lcs/pdb |
Descriptor | 3C-like proteinase, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate (3 entities in total) |
Functional Keywords | covid-19, sars-cov-2, 3clpro, coronavirus, main protease, kinetics, sars, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV,SARS-CoV-2, COVID-19 virus) |
Total number of polymer chains | 1 |
Total formula weight | 34229.02 |
Authors | Khan, M.B.,Arutyunova, E.,Young, H.S.,Lemieux, M.J. (deposition date: 2021-01-11, release date: 2021-07-07, Last modification date: 2023-10-18) |
Primary citation | 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. Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222:113584-113584, 2021 Cited by PubMed: 34118724DOI: 10.1016/j.ejmech.2021.113584 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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