Caspase-5
Target ID: CHEMBL3131
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| FALDAPREVIR | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O | IC50: 3.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| O=C(NCC(=O)N1C[C@H](Oc2cc(-c3cscn3)nc3ccccc23)C[C@H]1C(=O)NC1CC1)OC1CCCC1 | 8.52 | 27 |  |
| [15*]C1CCCC1 | 8.52 | 27 |  |
| [1*]C([1*])=O | 8.52 | 27 |  |
| [5*]N1C[C@H]([15*])C[C@H]1[13*] | 8.52 | 27 |  |
| [14*]c1csc([14*])n1 | 8.52 | 27 |  |