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| Ligand ID | 5OV |
| InChI | InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1 |
| InChIKey | LDXSPHJOJCEWFB-MAFUWASYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12 | | CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]2N[S](=O)(=O)O[C@@H]12 | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C2C1OS(=O)(=O)N2)O)O)O)O |
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| Formula | C7 H13 N O7 S |
| Name | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol;
Cyclophellitol Sulfamidate probe KK131 |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7p4c Chain AAA Residue 905
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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