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| Ligand ID | NDN |
| InChI | InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1 |
| InChIKey | LVLPVLNNXRTCHP-RRKCRQDMSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | [O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O | | CACTVS 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(C(=O)NC2=O)[N+]([O-])=O | | OpenEye OEToolkits 1.5.0 | C1C(C(OC1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O | | CACTVS 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NC2=O)[N+]([O-])=O |
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| Formula | C9 H12 N3 O10 P |
| Name | 2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE);
[(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE |
| ChEMBL | CHEMBL1234672 |
| DrugBank | |
| ZINC |
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| PDB chain | 3b5b Chain B Residue 265
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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