Structure of PDB 2yio Chain B Binding Site BS01 |
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| Ligand ID | YIO |
| InChI | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1 |
| InChIKey | JUSMHIGDXPKSID-PHYPRBDBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.6.1 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O | | OpenEye OEToolkits 1.6.1 | C(C1C(C(C(C(O1)S)O)O)O)O | | CACTVS 3.352 | OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@H]1O | | CACTVS 3.352 | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O |
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| Formula | C6 H12 O5 S |
| Name | 1-thio-beta-D-galactopyranose;
(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL;
1-thio-beta-D-galactose;
1-thio-D-galactose;
1-thio-galactose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000003873643
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| PDB chain | 2yio Chain B Residue 1138
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