Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | beta-lactamase | 0.0035 | 0.0943 | 0.1236 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0117 | 0.4835 | 0.6336 |
Echinococcus granulosus | geminin | 0.0166 | 0.7172 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0082 | 0.3167 | 0.415 |
Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.159 | 0.2083 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0035 | 0.0943 | 1 |
Echinococcus multilocularis | geminin | 0.0166 | 0.7172 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0175 | 0.7631 | 1 |
Mycobacterium tuberculosis | Possible conserved lipoprotein LpqK | 0.0035 | 0.0943 | 0.0943 |
Loa Loa (eye worm) | inward rectifying k channel family protein 1 | 0.0175 | 0.7631 | 1 |
Echinococcus granulosus | beta LACTamase domain containing family member | 0.0035 | 0.0943 | 0.1315 |
Mycobacterium tuberculosis | Conserved protein | 0.0035 | 0.0943 | 0.0943 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0035 | 0.0943 | 0.5 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0049 | 0.159 | 0.2517 |
Loa Loa (eye worm) | hypothetical protein | 0.0175 | 0.7631 | 1 |
Mycobacterium tuberculosis | Probable esterase LipL | 0.0035 | 0.0943 | 0.0943 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 0.3167 | 0.4416 |
Plasmodium vivax | hypothetical protein, conserved | 0.0035 | 0.0943 | 1 |
Mycobacterium ulcerans | beta-lactamase | 0.0035 | 0.0943 | 0.5 |
Mycobacterium tuberculosis | Conserved protein | 0.0035 | 0.0943 | 0.0943 |
Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0035 | 0.0943 | 0.1236 |
Toxoplasma gondii | hypothetical protein | 0.0175 | 0.7631 | 1 |
Mycobacterium tuberculosis | Probable hydrolase | 0.0035 | 0.0943 | 0.0943 |
Mycobacterium tuberculosis | Probable esterase/lipase LipP | 0.0035 | 0.0943 | 0.0943 |
Brugia malayi | Carboxylesterase family protein | 0.0082 | 0.3167 | 0.5015 |
Loa Loa (eye worm) | hypothetical protein | 0.0148 | 0.6316 | 0.8277 |
Schistosoma mansoni | hypothetical protein | 0.0033 | 0.0853 | 0.119 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0082 | 0.3167 | 0.415 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0943 | 0.1236 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.3167 | 0.415 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0943 | 0.1236 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0943 | 0.1236 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0033 | 0.0853 | 0.1351 |
Mycobacterium tuberculosis | Probable lipase LipD | 0.0035 | 0.0943 | 0.0943 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0035 | 0.0943 | 0.5 |
Brugia malayi | beta-lactamase | 0.0035 | 0.0943 | 0.1493 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0943 | 0.1236 |
Mycobacterium leprae | conserved hypothetical protein | 0.0035 | 0.0943 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.3167 | 0.415 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0082 | 0.3167 | 0.4416 |
Schistosoma mansoni | hypothetical protein | 0.0166 | 0.7172 | 1 |
Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0035 | 0.0943 | 0.1493 |
Trichomonas vaginalis | esterase, putative | 0.0035 | 0.0943 | 0.5 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0117 | 0.4835 | 0.6336 |
Mycobacterium leprae | Probable lipase LipE | 0.0035 | 0.0943 | 0.5 |
Mycobacterium tuberculosis | Conserved protein | 0.0035 | 0.0943 | 0.0943 |
Leishmania major | hypothetical protein, conserved | 0.0035 | 0.0943 | 1 |
Echinococcus multilocularis | beta LACTamase domain containing family member | 0.0035 | 0.0943 | 0.1315 |
Schistosoma mansoni | hypothetical protein | 0.0166 | 0.7172 | 1 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0035 | 0.0943 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0943 | 0.1236 |
Loa Loa (eye worm) | hypothetical protein | 0.0175 | 0.7631 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0943 | 0.1236 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0035 | 0.0943 | 0.5 |
Brugia malayi | beta-lactamase family protein | 0.0035 | 0.0943 | 0.1493 |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0853 | 0.1118 |
Mycobacterium ulcerans | esterase/lipase LipP | 0.0035 | 0.0943 | 0.5 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 0.3167 | 0.4416 |
Echinococcus granulosus | acetylcholinesterase | 0.0082 | 0.3167 | 0.4416 |
Brugia malayi | Carboxylesterase family protein | 0.0082 | 0.3167 | 0.5015 |
Toxoplasma gondii | ABC1 family protein | 0.0035 | 0.0943 | 0.1236 |
Onchocerca volvulus | 0.0148 | 0.6316 | 1 | |
Mycobacterium ulcerans | lipase LipD | 0.0035 | 0.0943 | 0.5 |
Echinococcus granulosus | carboxylesterase 5A | 0.0082 | 0.3167 | 0.4416 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0035 | 0.0943 | 0.5 |
Mycobacterium ulcerans | fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE | 0.0035 | 0.0943 | 0.5 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0082 | 0.3167 | 0.4416 |
Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0035 | 0.0943 | 0.1315 |
Brugia malayi | beta-lactamase family protein | 0.0035 | 0.0943 | 0.1493 |
Schistosoma mansoni | family S12 unassigned peptidase (S12 family) | 0.0035 | 0.0943 | 0.1315 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0035 | 0.0943 | 1 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0049 | 0.159 | 0.2517 |
Brugia malayi | hypothetical protein | 0.0148 | 0.6316 | 1 |
Mycobacterium tuberculosis | Probable conserved lipoprotein | 0.0035 | 0.0943 | 0.0943 |
Mycobacterium ulcerans | hypothetical protein | 0.0035 | 0.0943 | 0.5 |
Mycobacterium tuberculosis | Probable lipase LipE | 0.0035 | 0.0943 | 0.0943 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0049 | 0.159 | 0.2083 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0035 | 0.0943 | 0.5 |
Brugia malayi | MH2 domain containing protein | 0.0117 | 0.4835 | 0.7656 |
Echinococcus multilocularis | acetylcholinesterase | 0.0082 | 0.3167 | 0.4416 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 0.17 uM | Inhibition of electric eel AChE using acetylcholine iodide as substrate after 10 mins by Ellman method | ChEMBL. | 23376249 |
IC50 (binding) | = 196.21 uM | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 10 mins by Ellman method | ChEMBL. | 23376249 |
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.