2025-03-29_00000456|ligand|9KR5

Crystal structure of SARS-CoV-2 main protease in complex with compound 3; X-ray diffraction 1.92Å
Protein #1 302 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRHNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSG

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRHNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSG
Non polymer #2 A1EGN

InChI=1S/C27H21ClF3N7O4/c1-36-11-15-5-24(19(28)7-23(15)35-36)33-25-34-26(39)38(16-6-18(10-32-9-16)42-17-2-3-41-13-17)27(40)37(25)12-14-4-21(30)22(31)8-20(14)29/h4-11,17H,2-3,12-13H2,1H3,(H,33,34,39)/t17-/m0/s1

Cn1cc2cc(c(cc2n1)Cl)/N=C/3NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)c5cc(cnc5)O[C@H]6CCOC6
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Reference