Tyrosinase
Target ID: CHEMBL1973
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| FERULATE | COc1cc(/C=C/C(=O)O)ccc1O | Inhibition: 12.0 % |  |
| 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 |  |
| LEVODOPA | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | IC50: 900000.0 nM |  |
| PHENYLALANINE | N[C@@H](Cc1ccccc1)C(=O)O | Solubility: 245000.0 ug.mL-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccccc1 | 2.98 | 124 |  |
| [16*]c1ccc(O)c(O)c1 | 3.48 | 117 |  |
| [8*]C[C@H](N)C(=O)O | 3.05 | 73 |  |
| [7*]C[8*] | 2.92 | 51 |  |
| [7*]CC(=O)O | 2.92 | 51 |  |