2025-09-06_00000026|ligand|9DDF

SARS-CoV-2 main protease with inhibitor; X-ray diffraction 1.55Å
Protein #1 306 residues (98% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1A3N

InChI=1S/C24H23N5O2/c30-23(20-9-4-11-26-20)27-21-15-28(13-10-18(21)17-6-2-1-3-7-17)24(31)19-8-5-12-29-16-25-14-22(19)29/h1-9,11-12,14,16,18,21,26H,10,13,15H2,(H,27,30)/t18-,21+/m0/s1

c1ccc(cc1)[C@@H]2CCN(C[C@H]2NC(=O)c3ccc[nH]3)C(=O)c4cccn5c4cnc5
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Reference