2025-09-20_00000264|ligand|9VS1

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 15; X-ray diffraction 1.70Å
Protein #1 308 residues (99% resolved)

GSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

GSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1MA2

InChI=1S/C26H17ClF3N7O3/c1-34-12-32-21(33-34)11-37-25(39)22-20(36(26(37)40)10-14-6-17(28)23(30)18(29)7-14)8-19(35(2)24(22)38)15-5-13(9-31)3-4-16(15)27/h3-8,12H,10-11H2,1-2H3

Cn1cnc(n1)CN2C(=O)C3=C(C=C(N(C3=O)C)c4cc(ccc4Cl)C#N)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
Download coordinates
Reference