7LDL

Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability

Summary for 7LDL

• Entry DOI: 10.2210/pdb7ldl/pdb
• Descriptor: 3C-like proteinase, 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 (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: 2
• Total formula weight: 68540.14

Authors

Khan, M.B.,Lu, J.,Arutyunova, E.,Young, H.S.,Lemieux, M.J. (deposition date: 2021-01-13, 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; PubMed: 34118724; DOI: 10.1016/j.ejmech.2021.113584

Experimental method

X-RAY DIFFRACTION (2 Å)