Lysosomal alpha-glucosidase
Target ID: CHEMBL2608
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| LUCERASTAT | CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO | IC50: 10000.0 nM |  |
| BAICALEIN | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | Inhibition: 57.0 % |  |
| 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 | 4.63 | 234 |  |
| C1CCNCC1 | 4.05 | 195 |  |
| [4*]CCCC | 5.34 | 78 |  |
| [5*]N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1[13*] | 5.68 | 78 |  |
| [5*]N1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1[13*] | 5.0 | 39 |  |