2025-02-22_00000316|ligand|8Z46

SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor; X-ray diffraction 1.57Å
Protein #1 306 residues (98% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1D70

InChI=1S/C23H32ClN9O4/c1-14(35)33-11-10-32(13-18(33)20(37)27-9-7-19(25)36)23-30-21(26-2)29-22(31-23)28-17(8-12-34)15-5-3-4-6-16(15)24/h3-6,17-18,34H,7-13H2,1-2H3,(H2,25,36)(H,27,37)(H2,26,28,29,30,31)/t17-,18-/m0/s1

CC(=O)N1CCN(C[C@H]1C(=O)NCCC(=O)N)c2nc(nc(n2)N[C@@H](CCO)c3ccccc3Cl)NC
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