Protein-tyrosine phosphatase 1B
Target ID: CHEMBL335
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CANTHARIDIN | C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1 | IC50: 160.0 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 |
|---|---|---|---|
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 39 |  |
| [14*]c1oc2cc(O)cc(O)c2c(=O)c1O | 4.48 | 39 |  |
| [16*]c1ccc(O)c(O)c1 | 4.48 | 39 |  |
| C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1 | 6.8 | 17 |  |
| O=C1OC(=O)C2C1[C@@H]1CC[C@H]2O1 | 6.8 | 17 |  |