7VVT
SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor
Summary for 7VVT
Entry DOI | 10.2210/pdb7vvt/pdb |
Descriptor | 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide (3 entities in total) |
Functional Keywords | main protease, covalent inhibitor, viral protein-inhibitor complex, viral inhibitor-complex complex, viral inhibitor/complex |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 2 |
Total formula weight | 68270.59 |
Authors | |
Primary citation | Xiong, M.,Nie, T.,Shao, Q.,Li, M.,Su, H.,Xu, Y. In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease. Eur.J.Med.Chem., 231:114130-114130, 2022 Cited by PubMed: 35114541DOI: 10.1016/j.ejmech.2022.114130 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.51 Å) |
Structure validation
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