2026-06-13_00000250|ligand|9VF3

Spirooxindole inhibitor CG-1062 complexed with SARS-Cov-2 3CL protease; X-ray diffraction 1.96Å
Protein #1 316 residues (95% resolved)

GPLGSSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

GPLGSSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1ERY

InChI=1S/C27H30N6O3/c1-15(2)11-21(32-10-9-20-22(25(32)35)31-23(29-20)16-7-8-16)24(34)33-14-27(12-17(33)13-28)18-5-3-4-6-19(18)30-26(27)36/h3-6,9-10,13,15-17,21,28H,7-8,11-12,14H2,1-2H3,(H,29,31)(H,30,36)/b28-13+/t17-,21-,27-/m0/s1

CC(C)C[C@@H](C(=O)N1C[C@@]2(C[C@H]1C=N)c3ccccc3NC2=O)N4C=Cc5c([nH]c(n5)C6CC6)C4=O
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Reference