Structure of PDB 9int Chain A Binding Site BS03 |
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| Ligand ID | G4S |
| InChI | InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1 |
| InChIKey | LOTQRUGOUKUSEY-DGPNFKTASA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O | | CACTVS 3.341 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O | | ACDLabs 10.04 | O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O | | CACTVS 3.341 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[S](O)(=O)=O |
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| Formula | C6 H12 O9 S |
| Name | 4-O-sulfo-beta-D-galactopyranose;
4-O-sulfo-beta-D-galactose;
4-O-sulfo-D-galactose;
4-O-sulfo-galactose |
| ChEMBL | |
| DrugBank | DB02837 |
| ZINC | ZINC000005829864
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| PDB chain | 9int Chain B Residue 3
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