quadruplex DNA
Target ID: CHEMBL3832742
Organism: Homo sapiens
Type: NUCLEIC-ACID
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| IMATINIB | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | IC50: 40.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [1*]C([6*])=O | 7.4 | 39 |  |
| [16*]c1cccnc1 | 7.4 | 39 |  |
| [5*]N1CCN(C)CC1 | 7.4 | 39 |  |
| O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc(CN2CCNCC2)cc1 | 7.4 | 39 |  |
| [5*]N[5*] | 7.4 | 39 |  |