8R11
Structure of compound 7 bound to SARS-CoV-2 main protease
Summary for 8R11
Entry DOI | 10.2210/pdb8r11/pdb |
Descriptor | 3C-like proteinase, 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone, GLYCEROL, ... (8 entities in total) |
Functional Keywords | fragment, inhibitor, protease, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 2 |
Total formula weight | 68724.03 |
Authors | |
Primary citation | Mac Sweeney, A.,Hazemann, J. Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches To Be Published, |
Experimental method | X-RAY DIFFRACTION (1.31 Å) |
Structure validation
Download full validation report