JAK1/JAK2/TYK2
Target ID: CHEMBL3301390
Organism: Homo sapiens
Type: PROTEIN COMPLEX
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| TOFACITINIB | C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 | IC50: 13.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N1CC[C@@H](C)[C@@H]([15*])C1 | 7.89 | 39 |  |
| [14*]c1ncnc2[nH]ccc12 | 7.89 | 39 |  |
| [5*]N([5*])C | 7.89 | 39 |  |
| [1*]C(=O)CC#N | 7.89 | 39 |  |
| c1nc(N[C@@H]2CCCNC2)c2cc[nH]c2n1 | 7.89 | 39 |  |