2025-05-17_00000084|ligand|9BTK

Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-C-108T; X-ray diffraction 1.79Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1ASG

InChI=1S/C27H32F3N5O3/c1-25(2,3)21(34-24(38)27(28,29)30)23(37)35-13-17-19(26(17,4)5)20(35)22(36)33-18(10-31)16-12-32-11-14-8-6-7-9-15(14)16/h6-12,17-21,31H,13H2,1-5H3,(H,33,36)(H,34,38)/b31-10+/t17-,18-,19-,20-,21-/m0/s1

[H]/N=C/[C@H](c1cncc2c1cccc2)NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C(=O)[C@@H](C(C)(C)C)NC(=O)C(F)(F)F
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Reference