2025-10-18_00000326|ligand|9NU6

SARS-CoV-2 main protease with inhibitor; X-ray diffraction 2.00Å
Protein #1 306 residues (98% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1B3B

InChI=1S/C27H26ClF4N5O3/c1-14(2)22(36-26(40)27(30,31)32)24(38)35-21-13-37(7-5-19(21)16-8-17(28)10-18(29)9-16)25(39)20-12-33-11-15-4-3-6-34-23(15)20/h3-4,6,8-12,14,19,21-22H,5,7,13H2,1-2H3,(H,35,38)(H,36,40)/t19-,21+,22+/m0/s1

CC(C)[C@H](C(=O)N[C@@H]1CN(CC[C@H]1c2cc(cc(c2)Cl)F)C(=O)c3cncc4c3nccc4)NC(=O)C(F)(F)F
Non polymer #3 BTB

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

C(CO)N(CCO)C(CO)(CO)CO
Non polymer #4 EDO

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

C(CO)O
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Reference