Structure of PDB 5yaq Chain D Binding Site BS02 |
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| Ligand ID | ISE |
| InChI | InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5- |
| InChIKey | VYEGBDHSGHXOGT-HYFGLKJPSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | C1(C(C(C(=O)C(C1O)O)O)O)O | | ACDLabs 12.01 | O=C1C(O)C(O)C(O)C(O)C1O | | CACTVS 3.370 | O[CH]1[CH](O)[CH](O)C(=O)[CH](O)[CH]1O | | OpenEye OEToolkits 1.7.0 | [C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O | | CACTVS 3.370 | O[C@H]1[C@H](O)[C@@H](O)C(=O)[C@@H](O)[C@@H]1O |
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| Formula | C6 H10 O6 |
| Name | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone;
Inosose;
Myo-inosose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5yaq Chain D Residue 402
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