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| Ligand ID | A0I |
| InChI | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(16)11-5)8-7(15)6(14)4(25-8)3-24-27(17,18)12-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H2,10,11,16)(H2,21,22,23)(H3,12,17,18,19,20)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | HVZVBWDHTKBLAI-XVFCMESISA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O | | CACTVS 3.385 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O | | OpenEye OEToolkits 2.0.7 | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O | | CACTVS 3.385 | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O |
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| Formula | C9 H17 N4 O13 P3 |
| Name | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[oxidanyl(phosphonooxy)phosphoryl]phosphonamidic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8psz Chain B Residue 601
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