2025-05-10_00000115|ligand|9BQG

Structure of the SARS-CoV-2 main protease in complex with inhibitor k68; X-ray diffraction 1.65Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1AQ3

InChI=1S/C24H35N3O6/c1-24(2,3)33-19-12-20(22(30)26-18(14-28)11-17-9-10-25-21(17)29)27(13-19)23(31)32-15-16-7-5-4-6-8-16/h4-8,17-20,28H,9-15H2,1-3H3,(H,25,29)(H,26,30)/t17-,18+,19?,20-/m0/s1

CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO
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Reference