Janus Kinase (JAK)
Target ID: CHEMBL2363062
Organism: Homo sapiens
Type: PROTEIN FAMILY
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| METHOTREXATE | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | ID50: 6.2 nM |  |
| TOFACITINIB | C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 | IC50: 13.0 nM |  |
| VORINOSTAT | O=C(CCCCCCC(=O)Nc1ccccc1)NO | Inhibition: 100.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.21 | 78 |  |
| [5*]N([5*])C | 8.05 | 78 |  |
| c1ccc(NCc2cnc3ncncc3n2)cc1 | 8.21 | 39 |  |
| [4*]C[8*] | 8.21 | 39 |  |
| [16*]c1ccc([16*])cc1 | 8.21 | 39 |  |