Structure of PDB 3hkq Chain A Binding Site BS02 |
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| Ligand ID | 1SD |
| InChI | InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1 |
| InChIKey | OQMMAWGZUDHRTA-PHYPRBDBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | C(C1C(C(C(C(O1)S(=O)(=O)N)O)O)O)O | | CACTVS 3.341 | N[S](=O)(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | ACDLabs 10.04 | O=S(=O)(N)C1OC(C(O)C(O)C1O)CO | | CACTVS 3.341 | N[S](=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O |
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| Formula | C6 H13 N O7 S |
| Name | (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol;
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide;
(1S)-D-Galactopyranosylsulfonamide |
| ChEMBL | CHEMBL569412 |
| DrugBank | |
| ZINC | ZINC000039290225
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| PDB chain | 3hkq Chain A Residue 300
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