2026-02-28_00000209
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ligand
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9OBH
Co-Structure of SARS-CoV-2 with Compound 34;
X-ray diffraction 1.87Å
Protein #1
306 residues (99% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1CAR
InChI=1S/C18H17F3N4O/c19-18(20,21)12-5-13(6-12)24-10-14(7-22)25(17(24)26)16-9-23-8-11-3-1-2-4-15(11)16/h1-4,7-9,12-14,22H,5-6,10H2/b22-7+/t12-,13+,14-/m0/s1
InChI=1S/C18H17F3N4O/c19-18(20,21)12-5-13(6-12)24-10-14(7-22)25(17(24)26)16-9-23-8-11-3-1-2-4-15(11)16/h1-4,7-9,12-14,22H,5-6,10H2/b22-7+/t12-,13+,14-/m0/s1
SMILES: c1ccc2c(c1)cncc2N3[C@H](CN(C3=O)C4CC(C4)C(F)(F)F)C=N
c1ccc2c(c1)cncc2N3[C@H](CN(C3=O)C4CC(C4)C(F)(F)F)C=N
Biounit #1
monomer
Download coordinates
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Model
Reference
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