Structure of PDB 1fbc Chain B Binding Site BS02 |
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| Ligand ID | AHG |
| InChI | InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1 |
| InChIKey | WSMBXSQDFPTODV-JGWLITMVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1CO[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O | | ACDLabs 10.04 | O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O |
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| Formula | C6 H14 O11 P2 |
| Name | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol;
2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE |
| ChEMBL | |
| DrugBank | DB02778 |
| ZINC | ZINC000003870733
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| PDB chain | 1fbc Chain B Residue 336
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