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TitleDiscovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Journal, issue, pagesEur. J. Med. Chem., Vol. 257, Page 115487-115487, Year 2023
Publish dateJan 21, 2023 (structure data deposition date)
AuthorsZhang, K. / Wang, T. / Li, M. / Liu, M. / Tang, H. / Wang, L. / Ye, K. / Yang, J. / Jiang, S. / Xiao, Y. ...Zhang, K. / Wang, T. / Li, M. / Liu, M. / Tang, H. / Wang, L. / Ye, K. / Yang, J. / Jiang, S. / Xiao, Y. / Xie, Y. / Lu, M. / Zhang, X.
External linksEur. J. Med. Chem. / PubMed:37257212
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-8i4s:
the complex structure of SARS-CoV-2 Mpro with D8
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-OU3:
3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE / inhibitor / complex

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