Structure of PDB 2b5t Chain I Binding Site BS04 |
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Ligand ID | GU1 |
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-GRJZWZNASA-N |
SMILES | Software | SMILES |
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CACTVS 3.352 | CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O | CACTVS 3.352 | CO[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1OC)C(O)=O | ACDLabs 11.02 | O=C(O)C1OC(O)C(OC)C(OC)C1O | OpenEye OEToolkits 1.7.0 | COC1C(C(OC(C1OC)O)C(=O)O)O | OpenEye OEToolkits 1.7.0 | 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-beta-D-glucopyranuronic acid; 2,3-di-O-methyl-beta-D-glucuronic acid; 2,3-di-O-methyl-D-glucuronic acid; 2,3-di-O-methyl-glucuronic acid |
ChEMBL | |
DrugBank | |
ZINC | ZINC000006483311
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PDB chain | 2b5t Chain G Residue 4
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Enzyme Commision number |
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