Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Equus caballus | Butyrylcholinesterase | Starlite/ChEMBL | References |
Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Schistosoma mansoni | gliotactin | Butyrylcholinesterase | 602 aa | 587 aa | 28.1 % |
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 | Putative nuclear protein | Butyrylcholinesterase | 602 aa | 573 aa | 41.4 % |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
Echinococcus granulosus | neuroligin | Butyrylcholinesterase | 602 aa | 492 aa | 24.2 % |
Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 578 aa | 25.4 % | |
Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Butyrylcholinesterase | 602 aa | 554 aa | 35.9 % |
Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
Onchocerca volvulus | Butyrylcholinesterase | 602 aa | 551 aa | 30.1 % | |
Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0975 | 0.0854 |
Schistosoma mansoni | lamin | 0.0028 | 0.0992 | 0.0018 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0164 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0027 | 0.0958 | 0.0958 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0028 | 0.0975 | 0.5 |
Echinococcus granulosus | lamin | 0.0028 | 0.0992 | 0.0961 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0028 | 0.0975 | 0.0945 |
Brugia malayi | Intermediate filament tail domain containing protein | 0.0028 | 0.0992 | 0.0871 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0028 | 0.0975 | 0.0945 |
Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0028 | 0.0992 | 0.0992 |
Brugia malayi | hypothetical protein | 0.0026 | 0.0871 | 0.0749 |
Echinococcus multilocularis | lamin dm0 | 0.0028 | 0.0992 | 0.0961 |
Loa Loa (eye worm) | carboxylesterase | 0.0164 | 1 | 1 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0028 | 0.0975 | 0.0945 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.0026 | 0.0871 | 0.5 |
Toxoplasma gondii | LsmAD domain-containing protein | 0.0026 | 0.0871 | 0.5 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0975 | 0.0854 |
Loa Loa (eye worm) | hypothetical protein | 0.0026 | 0.0871 | 0.0871 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.0026 | 0.0871 | 0.5 |
Echinococcus multilocularis | neuroligin | 0.0028 | 0.0975 | 0.0945 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0975 | 0.0854 |
Loa Loa (eye worm) | intermediate filament protein | 0.0028 | 0.0992 | 0.0992 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 1 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0028 | 0.0975 | 0.0854 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 1 | 1 |
Brugia malayi | intermediate filament protein | 0.0028 | 0.0992 | 0.0871 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Echinococcus granulosus | neuroligin | 0.0028 | 0.0975 | 0.0945 |
Loa Loa (eye worm) | hypothetical protein | 0.0013 | 0.0034 | 0.0034 |
Trypanosoma cruzi | PAB1-binding protein , putative | 0.0026 | 0.0871 | 0.5 |
Schistosoma mansoni | intermediate filament proteins | 0.0028 | 0.0992 | 0.0018 |
Echinococcus multilocularis | carboxylesterase 5A | 0.0164 | 1 | 1 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.0164 | 1 | 1 |
Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0015 | 0.0132 | 0.0132 |
Brugia malayi | hypothetical protein | 0.0017 | 0.0258 | 0.0127 |
Echinococcus granulosus | acetylcholinesterase | 0.0164 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0028 | 0.0975 | 0.0854 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0992 | 0.0992 |
Loa Loa (eye worm) | carboxylesterase | 0.0028 | 0.0975 | 0.0975 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Brugia malayi | Carboxylesterase family protein | 0.0164 | 1 | 1 |
Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0028 | 0.0975 | 0.5 |
Echinococcus multilocularis | lamin | 0.0028 | 0.0992 | 0.0961 |
Leishmania major | hypothetical protein, conserved | 0.0026 | 0.0871 | 0.5 |
Echinococcus granulosus | lamin dm0 | 0.0028 | 0.0992 | 0.0961 |
Plasmodium falciparum | ataxin-2 like protein, putative | 0.0026 | 0.0871 | 0.5 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0028 | 0.0975 | 0.5 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0028 | 0.0975 | 0.0945 |
Plasmodium vivax | ataxin-2 like protein, putative | 0.0026 | 0.0871 | 0.5 |
Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0028 | 0.0975 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0975 | 0.0975 |
Mycobacterium ulcerans | carboxylesterase, LipT | 0.0028 | 0.0975 | 0.5 |
Echinococcus multilocularis | musashi | 0.0028 | 0.0992 | 0.0961 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0028 | 0.0975 | 0.5 |
Onchocerca volvulus | 0.0028 | 0.0992 | 1 | |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 1 | 1 |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0028 | 0.0975 | 0.0945 |
Echinococcus multilocularis | acetylcholinesterase | 0.0164 | 1 | 1 |
Onchocerca volvulus | 0.0028 | 0.0992 | 1 | |
Trypanosoma brucei | PAB1-binding protein , putative | 0.0026 | 0.0871 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 1 | 1 |
Loa Loa (eye worm) | carboxylesterase | 0.0028 | 0.0975 | 0.0975 |
Echinococcus granulosus | BC026374 protein S09 family | 0.0028 | 0.0975 | 0.0945 |
Echinococcus granulosus | intermediate filament protein | 0.0028 | 0.0992 | 0.0961 |
Schistosoma mansoni | lamin | 0.0028 | 0.0992 | 0.0018 |
Echinococcus granulosus | carboxylesterase 5A | 0.0164 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 1.42 uM | Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method | ChEMBL. | 22041172 |
IC50 (binding) | = 1.79 uM | Inhibition of equine serum BuChE using acetylcholine as substrate preincubated for 15 mins by Ellman's method | ChEMBL. | 22041172 |
IC50 (binding) | = 1.96 uM | Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method | ChEMBL. | 22041172 |
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.