MT4
Target ID: CHEMBL388
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AMPRENAVIR | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | Ki: 0.16 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [15*][C@H]1CCOC1 | 9.8 | 19 |  |
| [4*]CC(C)C | 9.8 | 19 |  |
| [5*]N([5*])[5*] | 9.8 | 19 |  |
| [5*]N[5*] | 9.8 | 19 |  |
| [16*]c1ccccc1 | 9.8 | 19 |  |