Galactocerebrosidase
Target ID: CHEMBL3713095
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| HISTAMINE | NCCc1c[nH]cn1 | KA: 2.0 uM |  |
| ACETAZOLAMIDE | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | Ki: 250.0 nM |  |
| DORAMAPIMOD | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 | Kd: 0.046 nM |  |
| ESTRONE | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | EC50: 1135.0 nM |  |
| PYRIMETHAMINE | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 | IC50: 2800.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.57 | 74 |  |
| [5*]N1CCOCC1 | 10.34 | 39 |  |
| [9*]n1nc([14*])cc1[14*] | 10.34 | 39 |  |
| [16*]c1ccc(C)cc1 | 10.34 | 39 |  |
| [1*]C([1*])=O | 10.34 | 39 |  |