Malate dehydrogenase cytoplasmic
Target ID: CHEMBL3560
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| FUROSEMIDE | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | Ki: 100000.0 nM |  |
| GUAIFENESIN | COc1ccccc1OCC(O)CO | Inhibition: 5.0 % |  |
| TRIMETHOPRIM | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC | IC50: 12000.0 nM |  |
| FLUCONAZOLE | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F | IC80: 2.8 ug ml-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]OC | 4.92 | 60 |  |
| [16*]c1cc([16*])c([16*])c([16*])c1 | 4.92 | 39 |  |
| [8*]C[8*] | 4.92 | 39 |  |
| c1ccc(Cc2cncnc2)cc1 | 4.92 | 39 |  |
| [16*]c1cnc(N)nc1N | 4.92 | 39 |  |