Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Lactobacillus casei | Dihydrofolate reductase | Starlite/ChEMBL | References |
Lactobacillus casei | Thymidylate synthase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | Putative dihydrofolate reductase | Dihydrofolate reductase | 163 aa | 173 aa | 27.2 % |
Babesia bovis | dihydrofolate reductase/thymidilate synthase | Dihydrofolate reductase | 163 aa | 133 aa | 27.1 % |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | Dihydrofolate reductase | 163 aa | 138 aa | 29.7 % |
Plasmodium yoelii | thymidylate synthase, putative | Dihydrofolate reductase | 163 aa | 139 aa | 21.6 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium ulcerans | dihydrofolate reductase DfrA | 0.0208 | 0.163 | 1 |
Mycobacterium tuberculosis | Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) | 0.0208 | 0.163 | 1 |
Brugia malayi | Dihydrofolate reductase | 0.0208 | 0.163 | 1 |
Onchocerca volvulus | 0.0195 | 0 | 0.5 | |
Plasmodium falciparum | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0274 | 1 | 0.5 |
Toxoplasma gondii | bifunctional dihydrofolate reductase-thymidylate synthase | 0.0274 | 1 | 0.5 |
Loa Loa (eye worm) | dihydrofolate reductase | 0.0208 | 0.163 | 1 |
Schistosoma mansoni | dihydrofolate reductase | 0.0208 | 0.163 | 1 |
Trypanosoma brucei | dihydrofolate reductase-thymidylate synthase | 0.0274 | 1 | 0.5 |
Echinococcus multilocularis | dihydrofolate reductase | 0.0208 | 0.163 | 1 |
Echinococcus granulosus | dihydrofolate reductase | 0.0208 | 0.163 | 1 |
Plasmodium vivax | bifunctional dihydrofolate reductase-thymidylate synthase, putative | 0.0274 | 1 | 0.5 |
Mycobacterium leprae | DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) | 0.0208 | 0.163 | 1 |
Trypanosoma cruzi | dihydrofolate reductase-thymidylate synthase | 0.0274 | 1 | 0.5 |
Chlamydia trachomatis | dihydrofolate reductase | 0.0208 | 0.163 | 0.5 |
Brugia malayi | dihydrofolate reductase family protein | 0.0208 | 0.163 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 74 10'-8M | Inhibition of MTX-resistant Lactobacillus casei dihydrofolate reductase | ChEMBL. | 409842 |
IC50 (binding) | = 8 uM | Inhibition of MTX-resistant Lactobacillus casei thymidylate synthetase | ChEMBL. | 409842 |
ID50 (functional) | = 0.78 ug ml-1 | Cytotoxicity against human CCRF-CEM cells | ChEMBL. | 409842 |
ILS (functional) | = 25 % | Antitumor activity against mouse L1210 cells allografted in BDF/1 hybrid mouse assessed as increase in life span relative to control | ChEMBL. | 409842 |
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.