2024-11-02_00000360|ligand|9GIJ

Crystal structure of SARS-CoV-2 Mpro with compound 5; X-ray diffraction 1.48Å
Protein #1 306 residues (99% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1IL0

InChI=1S/C27H29ClN4O3/c1-29-26(34)24(14-18-9-11-20(28)12-10-18)31(2)25(33)15-21-7-5-13-32(21)27(35)23-17-30-16-19-6-3-4-8-22(19)23/h3-4,6,8-12,16-17,21,24H,5,7,13-15H2,1-2H3,(H,29,34)/t21-,24-/m1/s1

CNC(=O)[C@@H](Cc1ccc(cc1)Cl)N(C)C(=O)C[C@H]2CCCN2C(=O)c3cncc4c3cccc4
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Reference