MT2
Target ID: CHEMBL614184
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 |  |
| CAFFEIC ACID | O=C(O)/C=C/c1ccc(O)c(O)c1 | IC50: 1200000.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccccc1 | 2.92 | 39 |  |
| [16*]c1ccc(O)c(O)c1 | 2.92 | 39 |  |
| [7*]CC(=O)O | 2.92 | 39 |  |
| [7*]C[8*] | 2.92 | 39 |  |
| [15*][C@H]1CCOC1 | 9.8 | 19 |  |