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TitleDiscovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Journal, issue, pagesEur. J. Med. Chem., Vol. 259, Page 115657-115657, Year 2023
Publish dateJan 16, 2023 (structure data deposition date)
AuthorsHuang, C. / Zeng, R. / Qiao, J. / Quan, B. / Luo, R. / Huang, Q. / Guo, N. / Li, Y. / Long, X. / Ma, R. ...Huang, C. / Zeng, R. / Qiao, J. / Quan, B. / Luo, R. / Huang, Q. / Guo, N. / Li, Y. / Long, X. / Ma, R. / Xia, A. / Fang, Z. / Wang, Y. / Zheng, Y. / Li, L. / Lei, J. / Yang, S.
External linksEur. J. Med. Chem. / PubMed:37517202
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-8i30:
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-OF9:
(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Severe acute respiratory syndrome coronavirus 2 / main protease

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