2025-03-29_00000459|ligand|9KSI

Crystal Structure of SARS-CoV-2 main protease in complex with compound 5; X-ray diffraction 2.30Å
Protein #1 305 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
Non polymer #2 A1EGP

InChI=1S/C30H21Cl2F2N7O4/c1-39-14-16-8-26(23(32)10-25(16)38-39)36-28-37-29(42)41(19-9-21(44-2)13-35-12-19)30(43)40(28)15-17-7-22(31)24(34)11-27(17)45-20-5-3-18(33)4-6-20/h3-14H,15H2,1-2H3,(H,36,37,42)

Cn1cc2cc(c(cc2n1)Cl)/N=C/3NC(=O)N(C(=O)N3Cc4cc(c(cc4Oc5ccc(cc5)F)F)Cl)c6cc(cnc6)OC
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Reference