2026-03-21_00000030|ligand|22DR

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 7c; X-ray diffraction 1.90Å
Protein #1 308 residues (98% resolved)

GSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

GSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1MDL

InChI=1S/C23H21F4N7O3/c1-31-11-28-17(30-31)10-34-22(35)19-16(7-18(29-21(19)37-2)32-4-3-13(24)9-32)33(23(34)36)8-12-5-14(25)20(27)15(26)6-12/h5-7,11,13H,3-4,8-10H2,1-2H3/t13-/m1/s1

Cn1cnc(n1)CN2C(=O)c3c(cc(nc3OC)N4CC[C@H](C4)F)N(C2=O)Cc5cc(c(c(c5)F)F)F
Non polymer #3 EDO

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

C(CO)O
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