Structure of PDB 1jdv Chain E Binding Site BS02 |
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Ligand ID | ADN |
InChI | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
SMILES | Software | SMILES |
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CACTVS 3.341 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O | ACDLabs 10.04 | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N | CACTVS 3.341 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N |
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Formula | C10 H13 N5 O4 |
Name | ADENOSINE |
ChEMBL | CHEMBL477 |
DrugBank | DB00640 |
ZINC | ZINC000002169830
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PDB chain | 1jdv Chain E Residue 4260
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