Beta-glucocerebrosidase
Target ID: CHEMBL2179
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| GENTIAN VIOLET | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] | Lysis: 100.0 % |  |
| MIGLITOL | OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO | Inhibition: 50.0 % |  |
| VOGLIBOSE | OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O | IC50: 110.0 nM |  |
| MIGALASTAT | OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O | Ki: 34000000.0 nM |  |
| 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 |
|---|---|---|---|
| [8*]CO | 4.54 | 195 |  |
| C1CCNCC1 | 3.73 | 156 |  |
| [5*]N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1[13*] | 5.68 | 78 |  |
| [4*]CCO | None | 39 |  |
| C1CCCCC1 | 6.96 | 39 |  |