DNA polymerase kappa
Target ID: CHEMBL5365
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| PAPAVERINE | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | Blood pressure: -23.0 mmHg |  |
| BAICALEIN | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | Inhibition: 57.0 % |  |
| 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 |  |
| TRIMETREXATE | COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC | IC50: 42.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]OC | 7.38 | 78 |  |
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 78 |  |
| [16*]c1ccc(O)c(O)c1 | 3.76 | 78 |  |
| [8*]C[8*] | None | 39 |  |
| c1ccc(Cc2nccc3ccccc23)cc1 | None | 39 |  |