Structure of PDB 7b8h Chain A Binding Site BS03 |
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| Ligand ID | SGN |
| InChI | InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | DQTRACMFIGDHSN-UKFBFLRUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O | | CACTVS 3.341 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O | | OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O | | ACDLabs 10.04 | O=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O | | CACTVS 3.341 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
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| Formula | C6 H13 N O11 S2 |
| Name | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
N,O6-DISULFO-GLUCOSAMINE;
6-O-sulfo-N-sulfo-alpha-D-glucosamine;
2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose;
2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose |
| ChEMBL | |
| DrugBank | DB03959 |
| ZINC |
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| PDB chain | 7b8h Chain B Residue 4
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