Structure of PDB 3t84 Chain A Binding Site BS02 |
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| Ligand ID | SG6 |
| InChI | InChI=1S/C8H15NO9S/c1-3(10)17-7-4(2-16-19(9,14)15)18-8(13)6(12)5(7)11/h4-8,11-13H,2H2,1H3,(H2,9,14,15)/t4-,5-,6-,7+,8+/m1/s1 |
| InChIKey | FXBYYANFSLVRSY-YQXRAVKXSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | CC(=O)O[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO[S](N)(=O)=O | | CACTVS 3.370 | CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[S](N)(=O)=O | | OpenEye OEToolkits 1.7.2 | CC(=O)OC1C(OC(C(C1O)O)O)COS(=O)(=O)N | | OpenEye OEToolkits 1.7.2 | CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N | | ACDLabs 12.01 | O=S(=O)(OCC1OC(O)C(O)C(O)C1OC(=O)C)N |
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| Formula | C8 H15 N O9 S |
| Name | 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose;
4-O-acetyl-6-O-sulfamoyl-alpha-D-galactose;
4-O-acetyl-6-O-sulfamoyl-D-galactose;
4-O-acetyl-6-O-sulfamoyl-galactose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098209402
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| PDB chain | 3t84 Chain A Residue 300
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