Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
Target ID: CHEMBL4523507
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| PAPAVERINE | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC | Blood pressure: -23.0 mmHg |  |
| ETHACRYNIC ACID | C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl | mequiv of Na+/kg: 4.14 0-5h |  |
| ACETAZOLAMIDE | CC(=O)Nc1nnc(S(N)(=O)=O)s1 | Ki: 250.0 nM |  |
| THEOPHYLLINE | Cn1c(=O)c2[nH]cnc2n(C)c1=O | ED50: 18.5 mg.kg-1 |  |
| AMINOCAPROIC ACID | NCCCCCC(=O)O | Ki: 50000.0 nM |  |
| ESMOLOL | COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | Kd: 100.0 nM |  |
| FLUCONAZOLE | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F | IC80: 2.8 ug ml-1 |  |
| ACETAMINOPHEN | CC(=O)Nc1ccc(O)cc1 | Vdss: 0.95 L.kg-1 |  |
| MAFENIDE | NCc1ccc(S(N)(=O)=O)cc1 | Ki: 25000.0 nM |  |
| SULFANILAMIDE | Nc1ccc(S(N)(=O)=O)cc1 | Ki: 28000.0 nM |  |
| ROLIPRAM | COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1 | IC50: 1000.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| c1ccccc1 | 4.96 | 114 |  |
| [3*]OC | 6.25 | 91 |  |
| [16*]c1ccc([16*])c([16*])c1 | 6.0 | 78 |  |
| [3*]O[3*] | 6.25 | 72 |  |
| [5*]N[5*] | 6.71 | 60 |  |