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| Ligand ID | DUN |
| InChI | InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8+/m0/s1 |
| InChIKey | COFNIXBQVWFHTR-SHYZEUOFSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O | | OpenEye OEToolkits 1.5.0 | C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(NP(=O)(O)O)O)O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O | | ACDLabs 10.04 | O=P(O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | CACTVS 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O |
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| Formula | C9 H15 N3 O10 P2 |
| Name | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE;
2,4(1H,3H)-PYRIMIDINEDIONE;
1-[2-DEOXY-5-O-[HYDROXY(PHOSPHONOAMINO)PHOSPHINYL]-BETA-D-ERYTHRO-PENTOFURANOSYL]- |
| ChEMBL | |
| DrugBank | DB03641 |
| ZINC |
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| PDB chain | 4dk4 Chain A Residue 301
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[View ligand structure]
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