Structure of PDB 5w1o Chain A Binding Site BS01 |
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| Ligand ID | JHM |
| InChI | InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1 |
| InChIKey | GDISEEDIIABUSR-ZXXMMSQZSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | C1C(C(C(OC1O)COS(=O)(=O)O)O)O | | OpenEye OEToolkits 1.7.0 | C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O | | CACTVS 3.370 | O[CH]1C[CH](O)[CH](O)[CH](CO[S](O)(=O)=O)O1 | | ACDLabs 12.01 | O=S(=O)(O)OCC1OC(O)CC(O)C1O | | CACTVS 3.370 | O[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO[S](O)(=O)=O)O1 |
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| Formula | C6 H12 O8 S |
| Name | 2-deoxy-6-O-sulfo-alpha-D-glucopyranose;
2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose;
2-deoxy-6-O-sulfo-alpha-D-glucose;
2-deoxy-6-O-sulfo-D-glucose;
2-deoxy-6-O-sulfo-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058650367
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| PDB chain | 5w1o Chain G Residue 3
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