Structure of PDB 1ruv Chain A Binding Site BS01 |
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| Ligand ID | UVC |
| InChI | InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6-,7-,8-;;;;/m1..../s1 |
| InChIKey | JSPAHXDHRUTBDP-ODQFIEKDSA-L |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(O3)(O)O | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O | | CACTVS 3.341 | OC[CH]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=CC(=O)NC3=O | | CACTVS 3.341 | OC[C@H]1O[C@H]([C@@H]2O[V](O)(O)(=O)O[C@H]12)N3C=CC(=O)NC3=O | | ACDLabs 10.04 | O=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O |
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| Formula | C9 H12 N2 O9 V |
| Name | URIDINE-2',3'-VANADATE |
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| PDB chain | 1ruv Chain A Residue 125
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