Aldose reductase
Target ID: CHEMBL1900
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| GENISTEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | IC50: 1000.0 nM |  |
| CAFFEIC ACID | O=C(O)/C=C/c1ccc(O)c(O)c1 | IC50: 1200000.0 nM |  |
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccc(O)c(O)c1 | 3.7 | 78 |  |
| [16*]c1ccc(O)cc1 | 6.0 | 39 |  |
| [16*]c1coc2cc(O)cc(O)c2c1=O | 6.0 | 39 |  |
| O=c1c(-c2ccccc2)coc2ccccc12 | 6.0 | 39 |  |
| c1ccccc1 | 2.92 | 39 |  |