Aldehyde dehydrogenase 1A1
Target ID: CHEMBL3577
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| BAICALEIN | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | Inhibition: 57.0 % |  |
| DAIDZEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 | Suppression: 22.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [14*]c1cc(=O)c2c(O)c(O)c(O)cc2o1 | None | 39 |  |
| O=c1cc(-c2ccccc2)oc2ccccc12 | None | 39 |  |
| [16*]c1ccccc1 | None | 39 |  |
| O=c1c(-c2ccccc2)coc2ccccc12 | None | 29 |  |
| [16*]c1ccc(O)cc1 | None | 29 |  |