Solute carrier family 22 member 3
Target ID: CHEMBL2073673
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| GENTIAN VIOLET | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] | Lysis: 100.0 % |  |
| HISTAMINE | NCCc1c[nH]cn1 | KA: 2.0 uM |  |
| AMITRIPTYLINE | CN(C)CCC=C1c2ccccc2CCc2ccccc21 | IC50: 61.0 nM |  |
| CRIZOTINIB | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | IC50: 8.0 nM |  |
| ESTRADIOL | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | IC50: 1.5 nM |  |
| IMATINIB | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | IC50: 40.0 nM |  |
| BITHIONOL | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | Control current: 198.6 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccc([16*])cc1 | 7.4 | 61 |  |
| [5*]N(C)C | 7.21 | 40 |  |
| [16*]c1cnc(N)c([16*])c1 | 8.1 | 39 |  |
| [16*]c1c(Cl)ccc(F)c1Cl | 8.1 | 39 |  |
| [4*][C@@H]([8*])C | 8.1 | 39 |  |