Structure of PDB 2vf0 Chain B Binding Site BS02 |
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| Ligand ID | NDU |
| InChI | InChI=1S/C9H14N3O10P/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/h4-7,13H,1-3H2,(H,10,14,15)(H2,18,19,20)/t4-,5+,6-,7-/m1/s1 |
| InChIKey | ZYBJIJYGXJSDTC-XZBKPIIZSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2CC(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[CH](C(=O)NC2=O)[N+]([O-])=O | | OpenEye OEToolkits 1.5.0 | C1C(C(OC1N2CC(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@H](C(=O)NC2=O)[N+]([O-])=O | | ACDLabs 10.04 | [O-][N+](=O)C1C(=O)NC(=O)N(C1)C2OC(C(O)C2)COP(=O)(O)O |
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| Formula | C9 H14 N3 O10 P |
| Name | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000103550818
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| PDB chain | 2vf0 Chain B Residue 1265
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