Structure of PDB 8tz1 Chain A Binding Site BS01 |
| >8tz1 Chain A (length=533) Species: 9913 (Bos taurus)
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ERMCGRMSDFCREHKTTLRYIIWGILIAGYLALVIAACVMNFHRALPLFV
ITVVAIFFVVWDHLMAKYESQIARFLSPGQRLLDSHWFWLKWVIWGCLIL
GVILWLVFDTAKLGQQQLVSFGGLIIYTSLTFLFSKHPTKVYWRPVFWGI
GLQFLLGLLILRTEPGFMAFDWLGKQVQTFLGYSDAGASFVFGEKYTDHF
FAFKVLPIVIFFSTVMSMLYYLGLMQWIIRKVGWVMLVTMGTSPVESVVA
SGNIFIGQTESPLLVRPYLPYVTKSELHAIMTAGFSTIAGSVLGAYISFG
VSSSHLLTASVMSAPAALAISKLFWPETETPKINLKNAMKMESGDSRNLL
EAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWLGNMFDYPQLSFE
VICSYVFMPFAFMMGVDWQDSFMVAKLIGYKTFFNEFVAYQQLSKLISLR
QVGGPKFVDGVQQYMSMRSEAISTYALCGFANFGSLGIVIGGLTSMAPSR
KRDITAGAMRALIAGTIACFLTACIAGMLTNTP |
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| Ligand ID | RBV |
| InChI | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 |
| InChIKey | IWUCXVSUMQZMFG-AFCXAGJDSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O | | ACDLabs 12.01 | O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N | | OpenEye OEToolkits 1.7.2 | c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N | | OpenEye OEToolkits 1.7.2 | c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N | | CACTVS 3.370 | NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
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| Formula | C8 H12 N4 O5 |
| Name | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide;
Ribavirin |
| ChEMBL | CHEMBL1643 |
| DrugBank | DB00811 |
| ZINC | ZINC000001035331
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| PDB chain | 8tz1 Chain A Residue 801
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