2026-02-14_00000328
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ligand
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9OIZ
Co-Structure of Main Protease of SARS-CoV-2 with Compound 11;
X-ray diffraction 2.46Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1CBN
InChI=1S/C20H13F3N4O2/c21-20(22,23)13-5-6-16-15(9-13)18(28)27(19(29)26(16)8-7-24)17-11-25-10-12-3-1-2-4-14(12)17/h1-7,9-11,24H,8H2/b24-7+
InChI=1S/C20H13F3N4O2/c21-20(22,23)13-5-6-16-15(9-13)18(28)27(19(29)26(16)8-7-24)17-11-25-10-12-3-1-2-4-14(12)17/h1-7,9-11,24H,8H2/b24-7+
SMILES: c1ccc2c(c1)cncc2N3C(=O)c4cc(ccc4N(C3=O)CC=N)C(F)(F)F
c1ccc2c(c1)cncc2N3C(=O)c4cc(ccc4N(C3=O)CC=N)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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