Structure of PDB 1tb6 Chain I Binding Site BS02 |
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| Ligand ID | GU2 |
| InChI | InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3?,4-,5+,6+,8+/m0/s1 |
| InChIKey | YEGNNGDFCAGXPA-OHZVEFKRSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O | | ACDLabs 10.04 | O=C(O)C1OC(O)C(OC)C(OC)C1O | | OpenEye OEToolkits 1.5.0 | COC1C(C(OC(C1OC)O)C(=O)O)O | | CACTVS 3.341 | CO[C@H]1[C@H](O)O[C@H]([C@@H](O)[C@@H]1OC)C(O)=O | | OpenEye OEToolkits 1.5.0 | CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O |
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| Formula | C8 H14 O7 |
| Name | 2,3-di-O-methyl-alpha-L-idopyranuronic acid;
2,3-di-O-methyl-alpha-L-iduronic acid;
2,3-di-O-methyl-L-iduronic acid;
2,3-di-O-methyl-iduronic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1tb6 Chain B Residue 2
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