Heparanase
Target ID: CHEMBL3921
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ASTEMIZOLE | COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 | Binding energy: 11.3 kCal mol-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 | None | 6 |  |
| [16*]c1ccc([16*])cc1 | None | 6 |  |
| [9*]n1c([14*])nc2ccccc21 | None | 6 |  |
| [16*]c1ccc(F)cc1 | None | 6 |  |
| [4*]CC[8*] | None | 6 |  |