2026-01-17_00000185|ligand|9LLL

compound 25 and SARS-CoV-2 Mpro; X-ray diffraction 2.40Å
Protein #1 306 residues (99% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGTVFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGTVFQ
Non polymer #2 A1EK4

InChI=1S/C29H23Cl2FN8O4S/c1-38-12-16-8-23(20(31)9-22(16)37-38)35-27-36-28(42)40(13-15-3-2-6-34-26(15)41)29(43)39(27)14-17-7-19(30)21(32)10-24(17)44-25-5-4-18(11-33)45-25/h2-10,12H,11,13-14,33H2,1H3,(H,34,41)(H,35,36,42)

Cn1cc2cc(c(cc2n1)Cl)/N=C/3\NC(=O)N(C(=O)N3Cc4cc(c(cc4Oc5ccc(s5)CN)F)Cl)CC6=CC=CNC6=O
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Reference