Protein disulfide-isomerase
Target ID: CHEMBL5422
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| RALOXIFENE HYDROCHLORIDE | Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 | IC50: 0.4 nM |  |
| ESTRADIOL | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | IC50: 1.5 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [14*]c1sc2cc(O)ccc2c1[16*] | 9.4 | 29 |  |
| O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccccc2)sc2ccccc12 | 9.4 | 29 |  |
| [5*]N1CCCCC1 | 9.4 | 29 |  |
| [6*]C([6*])=O | 9.4 | 29 |  |
| [16*]c1ccc(O)cc1 | 9.4 | 29 |  |