Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Equus caballus | Cholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Schistosoma japonicum | ko:K01050 cholinesterase [EC3.1.1.8], putative | Cholinesterase | 574 aa | 577 aa | 36.9 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Onchocerca volvulus | Galectin homolog | Cholinesterase | 574 aa | 531 aa | 39.7 % |
Onchocerca volvulus | Cholinesterase | 574 aa | 551 aa | 29.9 % | |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Echinococcus granulosus | neuroligin | Cholinesterase | 574 aa | 492 aa | 24.4 % |
Schistosoma mansoni | gliotactin | Cholinesterase | 574 aa | 587 aa | 27.9 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Cholinesterase | 574 aa | 554 aa | 36.1 % |
Onchocerca volvulus | Putative nuclear protein | Cholinesterase | 574 aa | 572 aa | 40.9 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
Onchocerca volvulus | Cholinesterase | 574 aa | 578 aa | 25.3 % | |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
Brugia malayi | Carboxylesterase family protein | Cholinesterase | 574 aa | 538 aa | 31.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 0.2781 | 0.2781 |
Echinococcus multilocularis | neuropeptide s receptor | 0.0458 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.2781 | 1 |
Brugia malayi | C2-HC type zinc finger protein C.e-MyT1 | 0.0057 | 0.0171 | 0.0615 |
Echinococcus granulosus | endonuclease exonuclease phosphatase | 0.0198 | 0.3631 | 0.3631 |
Echinococcus multilocularis | histone acetyltransferase MYST2 | 0.0057 | 0.0171 | 0.0171 |
Schistosoma mansoni | hypothetical protein | 0.0306 | 0.6271 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 0.0329 | 0.0524 |
Onchocerca volvulus | 0.005 | 0 | 0.5 | |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0158 | 0.2634 | 0.9473 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.012 | 0.1712 | 0.6156 |
Echinococcus granulosus | histone acetyltransferase MYST2 | 0.0057 | 0.0171 | 0.0171 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0158 | 0.2634 | 0.9473 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 0.2781 | 0.2781 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0108 | 0.141 | 0.5071 |
Echinococcus granulosus | suppression of tumorigenicity 18 protein | 0.0057 | 0.0171 | 0.0171 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 0.2781 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0108 | 0.141 | 0.2248 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 0.2781 | 0.4434 |
Brugia malayi | RNA binding protein | 0.0064 | 0.0329 | 0.1182 |
Echinococcus multilocularis | suppression of tumorigenicity 18 protein | 0.0057 | 0.0171 | 0.0171 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.2781 | 0.2781 |
Brugia malayi | RNA recognition motif domain containing protein | 0.0064 | 0.0329 | 0.1182 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 0.2781 | 0.2781 |
Loa Loa (eye worm) | hypothetical protein | 0.0057 | 0.0171 | 0.0615 |
Onchocerca volvulus | Polycomb protein Sfmbt homolog | 0.005 | 0 | 0.5 |
Schistosoma mansoni | myelin transcription factor 1 myt1 | 0.0057 | 0.0171 | 0.0273 |
Loa Loa (eye worm) | hypothetical protein | 0.0108 | 0.141 | 0.5071 |
Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 0.0329 | 0.0524 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.2781 | 1 |
Echinococcus multilocularis | endonuclease exonuclease phosphatase | 0.0198 | 0.3631 | 0.3631 |
Loa Loa (eye worm) | RNA binding protein | 0.0064 | 0.0329 | 0.1182 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.2781 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 0.0329 | 0.0524 |
Echinococcus multilocularis | tar DNA binding protein | 0.0064 | 0.0329 | 0.0329 |
Brugia malayi | TAR-binding protein | 0.0064 | 0.0329 | 0.1182 |
Brugia malayi | MH2 domain containing protein | 0.012 | 0.1712 | 0.6156 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.012 | 0.1712 | 0.6156 |
Loa Loa (eye worm) | hypothetical protein | 0.0158 | 0.2634 | 0.9473 |
Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 0.0329 | 0.0524 |
Echinococcus multilocularis | neuropeptide receptor A26 | 0.0458 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 0.2781 | 1 |
Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 0.0329 | 0.0524 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 0.2781 | 1 |
Echinococcus granulosus | neuropeptide receptor A26 | 0.0458 | 1 | 1 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0158 | 0.2634 | 0.9473 |
Loa Loa (eye worm) | MBCTL1 | 0.0057 | 0.0171 | 0.0615 |
Loa Loa (eye worm) | TAR-binding protein | 0.0064 | 0.0329 | 0.1182 |
Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0064 | 0.0329 | 0.1182 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.2781 | 0.2781 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 0.2781 | 0.2781 |
Echinococcus granulosus | tar DNA binding protein | 0.0064 | 0.0329 | 0.0329 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 22 nM | Inhibition of electric eel AChE by Ellman's method | ChEMBL. | 21367493 |
IC50 (binding) | = 905 nM | Inhibition of equine serum BChE by Ellman's method | ChEMBL. | 21367493 |
IC50 (ADMET) | > 25 uM | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs by MTT assay | ChEMBL. | 21367493 |
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.