Structure of PDB 8wlb Chain A Binding Site BS01 |
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| Ligand ID | WEB |
| InChI | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1 |
| InChIKey | LKDRXBCSQODPBY-KAZBKCHUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OC[C]1(O)OC[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | C1[C@H]([C@H]([C@H]([C@@](O1)(CO)O)O)O)O | | OpenEye OEToolkits 2.0.7 | C1C(C(C(C(O1)(CO)O)O)O)O | | CACTVS 3.385 | OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O |
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| Formula | C6 H12 O6 |
| Name | alpha-D-psicopyranose;
(2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004097154
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| PDB chain | 8wlb Chain A Residue 401
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