2026-06-13_00000249|ligand|9VF2

Spirooxindole inhibitor CG-1059 complexed with SARS-Cov-2 3CL protease; X-ray diffraction 1.97Å
Protein #1 316 residues (96% resolved)

GPLGSSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

GPLGSSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1E0B

InChI=1S/C24H30F3N5O4/c1-13(2)9-18(31(4)19(33)14(3)29-22(36)24(25,26)27)20(34)32-12-23(10-15(32)11-28)16-7-5-6-8-17(16)30-21(23)35/h5-8,11,13-15,18,28H,9-10,12H2,1-4H3,(H,29,36)(H,30,35)/b28-11+/t14-,15-,18-,23-/m0/s1

C[C@@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@@]2(C[C@H]1C=N)c3ccccc3NC2=O)NC(=O)C(F)(F)F
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Reference