Structure of PDB 1zaj Chain A Binding Site BS01 |
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| Ligand ID | M2P |
| InChI | InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1 |
| InChIKey | WOYYTQHMNDWRCW-KVTDHHQDSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O | | OpenEye OEToolkits 1.5.0 | C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O | | ACDLabs 10.04 | O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O | | OpenEye OEToolkits 1.5.0 | C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O | | CACTVS 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O |
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| Formula | C6 H16 O12 P2 |
| Name | D-MANNITOL-1,6-DIPHOSPHATE;
1,6-DI-O-PHOSPHONO-D-MANNITOL |
| ChEMBL | CHEMBL258208 |
| DrugBank | DB04733 |
| ZINC | ZINC000012504484
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| PDB chain | 1zaj Chain A Residue 3001
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