2025-05-10_00000320|ligand|9LVR

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 1; X-ray diffraction 2.20Å
Protein #1 329 residues (90% resolved)

MGSSHHHHHHHHHHSSGLVPRGSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

MGSSHHHHHHHHHHSSGLVPRGSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1L7P

InChI=1S/C24H18F3N5O2/c1-14-6-18(10-28-9-14)32-23(33)29-22(30-12-16-4-2-3-5-17(16)13-30)31(24(32)34)11-15-7-19(25)21(27)20(26)8-15/h2-10H,11-13H2,1H3

Cc1cc(cnc1)N2C(=O)N=C(N(C2=O)Cc3cc(c(c(c3)F)F)F)N4Cc5ccccc5C4
Non polymer #3 EDO

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

C(CO)O
Download coordinates
Reference