Cholesterol 24-hydroxylase
Target ID: CHEMBL4523510
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| HISTAMINE | NCCc1c[nH]cn1 | KA: 2.0 uM |  |
| LEVODOPA | N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | IC50: 900000.0 nM |  |
| SULFANILAMIDE | Nc1ccc(S(N)(=O)=O)cc1 | Ki: 28000.0 nM |  |
| ACETAMINOPHEN | CC(=O)Nc1ccc(O)cc1 | Vdss: 0.95 L.kg-1 |  |
| ESTRADIOL | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | IC50: 1.5 nM |  |
| PHENYLALANINE | N[C@@H](Cc1ccccc1)C(=O)O | Solubility: 245000.0 ug.mL-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccccc1 | 3.75 | 119 |  |
| [8*]C[C@H](N)C(=O)O | 3.05 | 73 |  |
| [16*]c1ccc(O)c(O)c1 | 3.05 | 39 |  |
| [8*]CCN | None | 36 |  |
| c1c[nH]cn1 | None | 36 |  |