Trehalase
Target ID: CHEMBL3087
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| DUVOGLUSTAT | OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O | IC50: 91900.0 nM |  |
| MIGLUSTAT | CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO | IC50: 2100.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| C1CCNCC1 | 4.86 | 78 |  |
| [8*]CO | 4.86 | 78 |  |
| [13*][C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O | 4.04 | 39 |  |
| [5*]N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1[13*] | 5.68 | 39 |  |
| [4*]CCCC | 5.68 | 39 |  |