Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Human immunodeficiency virus 1 | GP41 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania braziliensis | hypothetical protein, conserved | GP41 | 124 aa | 107 aa | 29.0 % |
Leishmania mexicana | hypothetical protein, conserved | GP41 | 124 aa | 105 aa | 29.5 % |
Trichomonas vaginalis | hypothetical protein | GP41 | 124 aa | 110 aa | 23.6 % |
Neospora caninum | Sec7 domain containing protein, related | GP41 | 124 aa | 124 aa | 21.0 % |
Cryptosporidium parvum | hypothetical protein | GP41 | 124 aa | 108 aa | 18.5 % |
Onchocerca volvulus | GP41 | 124 aa | 100 aa | 22.0 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.025 | 0.2076 | 0.3969 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0572 | 0.5232 | 1 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.025 | 0.2076 | 0.3969 |
Schistosoma mansoni | hypothetical protein | 0.092 | 0.8651 | 1 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0219 |
Echinococcus granulosus | GPCR family 2 | 0.0079 | 0.0395 | 0.0395 |
Loa Loa (eye worm) | kinesin-like protein KLP2 | 0.0137 | 0.0966 | 0.1847 |
Schistosoma mansoni | hypothetical protein | 0.0156 | 0.1146 | 0.1325 |
Echinococcus multilocularis | isocitrate dehydrogenase 2 (NADP+) | 0.0061 | 0.0219 | 0.0219 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.025 | 0.2076 | 0.3969 |
Giardia lamblia | Kinesin-5 | 0.0137 | 0.0966 | 0.5 |
Brugia malayi | isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0419 |
Echinococcus granulosus | NADP dependent isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0219 |
Brugia malayi | Kinesin motor domain containing protein | 0.0137 | 0.0966 | 0.1847 |
Loa Loa (eye worm) | hypothetical protein | 0.0171 | 0.1298 | 0.2482 |
Loa Loa (eye worm) | hypothetical protein | 0.0079 | 0.0395 | 0.0756 |
Loa Loa (eye worm) | isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0419 |
Trypanosoma cruzi | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0061 | 0.0219 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0079 | 0.0395 | 0.0457 |
Brugia malayi | MH2 domain containing protein | 0.0572 | 0.5232 | 1 |
Echinococcus multilocularis | GPCR, family 2 | 0.0079 | 0.0395 | 0.0395 |
Echinococcus multilocularis | isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0219 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0219 |
Toxoplasma gondii | kinesin motor domain-containing protein | 0.0137 | 0.0966 | 1 |
Plasmodium vivax | kinesin-5 | 0.0137 | 0.0966 | 1 |
Leishmania major | isocitrate dehydrogenase [NADP], mitochondrial precursor, putative | 0.0061 | 0.0219 | 0.5 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0572 | 0.5232 | 1 |
Brugia malayi | Latrophilin receptor protein 2 | 0.0079 | 0.0395 | 0.0756 |
Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0079 | 0.0395 | 0.0395 |
Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0079 | 0.0395 | 0.0395 |
Echinococcus multilocularis | kinesin family 1 | 0.1058 | 1 | 1 |
Echinococcus multilocularis | NADP dependent isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0219 |
Schistosoma mansoni | NADP-specific isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0254 |
Schistosoma mansoni | hypothetical protein | 0.0079 | 0.0395 | 0.0457 |
Mycobacterium tuberculosis | Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) | 0.0061 | 0.0219 | 0.5 |
Plasmodium falciparum | kinesin-5 | 0.0137 | 0.0966 | 1 |
Entamoeba histolytica | kinesin, putative | 0.0137 | 0.0966 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0171 | 0.1298 | 0.1501 |
Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0079 | 0.0395 | 0.0756 |
Trypanosoma cruzi | isocitrate dehydrogenase, putative | 0.0061 | 0.0219 | 0.5 |
Trypanosoma brucei | RNA helicase, putative | 0.0156 | 0.1146 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0079 | 0.0395 | 0.0457 |
Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0079 | 0.0395 | 0.0395 |
Loa Loa (eye worm) | hypothetical protein | 0.025 | 0.2076 | 0.3969 |
Schistosoma mansoni | kinesin eg-5 | 0.0137 | 0.0966 | 0.1117 |
Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0079 | 0.0395 | 0.0395 |
Brugia malayi | Isocitrate dehydrogenase | 0.0061 | 0.0219 | 0.0419 |
Schistosoma mansoni | hypothetical protein | 0.0079 | 0.0395 | 0.0457 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0171 | 0.1298 | 0.2482 |
Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0079 | 0.0395 | 0.0756 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
CC50 (ADMET) | > 25 nM | Cytotoxicity against human MT2 cells after 4 days by XTT assay | ChEMBL. | 25156906 |
EC50 (binding) | = 327 nM | Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells after 6 to 8 hrs by luciferase assay | ChEMBL. | 25156906 |
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.