Structure of PDB 2hl4 Chain A Binding Site BS02 |
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| Ligand ID | BO1 |
| InChI | InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | RMCYKIOWPVOBJX-RMPHRYRLSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | c1cc(ccc1NC2C(C(C(C(O2)CO)O)O)O)S(=O)(=O)N | | CACTVS 3.341 | N[S](=O)(=O)c1ccc(N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 | | ACDLabs 10.04 | O=S(=O)(N)c1ccc(cc1)NC2OC(C(O)C(O)C2O)CO | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N | | CACTVS 3.341 | N[S](=O)(=O)c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
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| Formula | C12 H18 N2 O7 S |
| Name | N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine;
N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE;
N-(4-sulfamoylphenyl)-beta-D-glucosylamine;
N-(4-sulfamoylphenyl)-D-glucosylamine;
N-(4-sulfamoylphenyl)-glucosylamine |
| ChEMBL | CHEMBL1089968 |
| DrugBank | |
| ZINC | ZINC000004216414
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| PDB chain | 2hl4 Chain A Residue 264
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