Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled | Starlite/ChEMBL | No references |
Homo sapiens | dopamine receptor D2 | Starlite/ChEMBL | No references |
Homo sapiens | dopamine receptor D3 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | hypothetical protein | dopamine receptor D3 | 400 aa | 392 aa | 19.9 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | thymidylate synthase | 0.0125 | 0.4673 | 0.6469 |
Loa Loa (eye worm) | thymidylate synthase | 0.0125 | 0.4673 | 0.6469 |
Echinococcus multilocularis | thymidylate synthase | 0.0125 | 0.4673 | 1 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0149 | 0.7225 | 1 |
Schistosoma mansoni | subfamily S1A unassigned peptidase (S01 family) | 0.0149 | 0.7225 | 1 |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0176 | 1 | 1 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0176 | 1 | 1 |
Onchocerca volvulus | 0.0149 | 0.7225 | 1 | |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0176 | 1 | 0.5 |
Schistosoma mansoni | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0125 | 0.4673 | 0.6469 |
Echinococcus granulosus | thymidylate synthase | 0.0125 | 0.4673 | 1 |
Brugia malayi | Trypsin family protein | 0.0149 | 0.7225 | 1 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0176 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0149 | 0.7225 | 1 |
Mycobacterium ulcerans | thymidylate synthase | 0.0125 | 0.4673 | 0.5 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0176 | 1 | 1 |
Mycobacterium tuberculosis | Probable thymidylate synthase ThyA (ts) (TSASE) | 0.0125 | 0.4673 | 0.5 |
Mycobacterium leprae | PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) | 0.0125 | 0.4673 | 0.5 |
Onchocerca volvulus | 0.0125 | 0.4673 | 0.6469 | |
Onchocerca volvulus | 0.0102 | 0.232 | 0.3212 | |
Loa Loa (eye worm) | hypothetical protein | 0.0149 | 0.7225 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Ki (binding) | = 4.02 nM | BindingDB_Patents: Radioligand Binding Assay. liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. | ChEMBL. | No reference |
Ki (binding) | = 6.08 nM | Radioligand Binding Assay | BINDINGDB. | No reference |
Ki (binding) | = 46.39 nM | Radioligand Binding Assay | BINDINGDB. | No reference |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.