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| Ligand ID | SDL |
| InChI | InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | VDCRFBBZFHHYGT-IOSLPCCCSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | NC1=NC2=C(N(CC=C)C(=O)N2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1 | | OpenEye OEToolkits 2.0.5 | C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)C3C(C(C(O3)CO)O)O | | CACTVS 3.385 | NC1=NC2=C(N(CC=C)C(=O)N2[CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N1 | | OpenEye OEToolkits 2.0.5 | C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
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| Formula | C13 H17 N5 O6 |
| Name | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione;
Loxoribine |
| ChEMBL | CHEMBL292008 |
| DrugBank | DB17589 |
| ZINC | ZINC000004674533
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| PDB chain | 5gmg Chain B Residue 901
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[View ligand structure]
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