Phosphodiesterase 6A
Target ID: CHEMBL3878
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| CAFFEINE | Cn1c(=O)c2c(ncn2C)n(C)c1=O | Vdss: 0.61 L.kg-1 |  |
| FUROSEMIDE | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | Ki: 100000.0 nM |  |
| VALDECOXIB | Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 | Ki: 54000.0 nM |  |
| FLUVASTATIN | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | IC50: 28.0 nM |  |
| HYDROCHLOROTHIAZIDE | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | IC50: 181970085860998.25 nM |  |
| SILDENAFIL | CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 | Pc: 87000000.0 cm s-1 |  |
| CANDESARTAN | CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | T1/2: 9.0 hr |  |
| AMOXICILLIN | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O | MIC: 0.021 ug.mL-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [4*]CC | None | 51 |  |
| [3*]O[3*] | None | 51 |  |
| [6*]C(=O)O | 4.0 | 43 |  |
| [12*]S(=O)(=O)c1ccc([16*])c([16*])c1 | None | 39 |  |
| O=c1[nH]c(-c2cccc(S(=O)(=O)N3CCNCC3)c2)nc2cn[nH]c12 | None | 39 |  |