Multidrug resistance-associated protein 5
Target ID: CHEMBL2046258
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ZAPRINAST | CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1 | IC50: 1750000.0 nM |  |
| SILDENAFIL | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | Pc: 87000000.0 cm s-1 |  |
| DIPYRIDAMOLE | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | IC50: 500.0 nM |  |
| FLOXURIDINE | O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F | IC50: 2.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 2.76 | 78 |  |
| [14*]c1nc2[nH]nnc2c(=O)[nH]1 | 2.76 | 39 |  |
| [4*]CCC | 2.76 | 39 |  |
| O=c1[nH]c(-c2ccccc2)nc2[nH]nnc12 | 2.76 | 39 |  |
| [16*]c1ccccc1[16*] | 2.76 | 39 |  |