2024-11-02_00000361|ligand|9GIL

Crystal structure of SARS-CoV-2 Mpro with compound 12; X-ray diffraction 1.85Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1IL7

InChI=1S/C28H32ClN3O4/c29-23-11-9-20(10-12-23)16-25-28(35)36-14-5-3-1-2-4-7-21-15-22(19-30-18-21)27(34)32-13-6-8-24(32)17-26(33)31-25/h4,7,9-12,15,18-19,24-25H,1-3,5-6,8,13-14,16-17H2,(H,31,33)/b7-4-/t24-,25-/m1/s1

c1cc(ccc1C[C@@H]2C(=O)OCCCCC/C=C/c3cc(cnc3)C(=O)N4CCC[C@@H]4CC(=O)N2)Cl
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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