Structure of PDB 2r71 Chain A Binding Site BS03 |
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| Ligand ID | INS |
| InChI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| InChIKey | CDAISMWEOUEBRE-GPIVLXJGSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C1(C(C(C(C(C1O)O)O)O)O)O | | ACDLabs 10.04 | OC1C(O)C(O)C(O)C(O)C1O | | CACTVS 3.341 | O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.341 | O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
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| Formula | C6 H12 O6 |
| Name | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
MYO-INOSITOL |
| ChEMBL | CHEMBL1222251 |
| DrugBank | DB13178 |
| ZINC | ZINC000100018867
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| PDB chain | 2r71 Chain A Residue 787
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