CDK12/Cyclin K
Target ID: CHEMBL4106169
Organism: Homo sapiens
Type: PROTEIN COMPLEX
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ALVOCIDIB | CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 | IC50: 330.0 nM |  |
| AT-7519 | O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl | IC50: 47.0 nM |  |
| SELICICLIB | CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 | IC50: 450.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 6.84 | 78 |  |
| O=c1cc(-c2ccccc2)oc2c(C3CCNCC3)cccc12 | 6.48 | 39 |  |
| [15*][C@H]1CCN(C)C[C@H]1O | 6.48 | 39 |  |
| [14*]c1cc(=O)c2c(O)cc(O)c([16*])c2o1 | 6.48 | 39 |  |
| [16*]c1ccccc1Cl | 6.48 | 39 |  |