8HTV
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a
Summary for 8HTV
Entry DOI | 10.2210/pdb8htv/pdb |
Descriptor | 3C-like proteinase, 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone (3 entities in total) |
Functional Keywords | mpro, viral protein-inhibitor complex, viral protein/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 |
Total number of polymer chains | 1 |
Total formula weight | 34094.91 |
Authors | |
Primary citation | Ren, P.,Li, H.,Nie, T.,Jian, X.,Yu, C.,Li, J.,Su, H.,Zhang, X.,Li, S.,Yang, X.,Peng, C.,Yin, Y.,Zhang, L.,Xu, Y.,Liu, H.,Bai, F. Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66:12266-12283, 2023 Cited by PubMed: 37594952DOI: 10.1021/acs.jmedchem.3c00818 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.04 Å) |
Structure validation
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