Beta-galactosidase
Target ID: CHEMBL2522
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CONGO RED | Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+] | Kd: 1500.0 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 |  |
| LUCERASTAT | CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO | IC50: 10000.0 nM |  |
| INOSITOL | O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | k cat: 13.3 s-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| C1CCNCC1 | 4.05 | 156 |  |
| [8*]CO | 4.05 | 156 |  |
| [4*]CCCC | 5.34 | 78 |  |
| [16*]c1ccc(/N=N/c2cc(S(=O)(=O)[O-])c3ccccc3c2N)cc1 | 5.82 | 39 |  |
| c1ccc2cc(/N=N/c3ccc(-c4ccc(/N=N/c5ccc6ccccc6c5)cc4)cc3)ccc2c1 | 5.82 | 39 |  |