Structure of PDB 3t82 Chain A Binding Site BS02 |
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| Ligand ID | SG4 |
| InChI | InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7-,8-,9-,10+/m1/s1 |
| InChIKey | XQYNJXXCRGRITM-IGORNWKESA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.2 | CC(=O)OC1C(OC(C(C1OC(=O)C)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]1OC(=O)C)O)O)COS(=O)(=O)N | | CACTVS 3.370 | CC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[CH]1OC(C)=O | | CACTVS 3.370 | CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[S](N)(=O)=O)[C@H]1OC(C)=O | | ACDLabs 12.01 | O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N |
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| Formula | C10 H17 N O10 S |
| Name | 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose;
3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucose;
3,4-di-O-acetyl-6-O-sulfamoyl-D-glucose;
3,4-di-O-acetyl-6-O-sulfamoyl-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098209400
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| PDB chain | 3t82 Chain A Residue 300
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