Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | References |
Homo sapiens | cholinergic receptor, muscarinic 1 | Starlite/ChEMBL | References |
Homo sapiens | histamine receptor H1 | Starlite/ChEMBL | References |
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.0831 | 0.4001 |
Onchocerca volvulus | Putative DNA topoisomerase 2, mitochondrial | 0.0092 | 0.2077 | 1 |
Schistosoma mansoni | prokaryotic DNA topoisomerase | 0.0028 | 0.04 | 0.1926 |
Trypanosoma brucei | DNA topoisomerase II alpha, putative | 0.0064 | 0.1338 | 0.1791 |
Toxoplasma gondii | DNA topoisomerase 2, putative | 0.0092 | 0.2077 | 0.3202 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0227 | 0.5637 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0754 | 0.2111 |
Echinococcus multilocularis | rho GTPase activating protein 20 | 0.0028 | 0.04 | 0.1926 |
Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0092 | 0.2077 | 1 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.0092 | 0.2077 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0258 | 0.644 | 0.6292 |
Loa Loa (eye worm) | hypothetical protein | 0.0064 | 0.1338 | 0.6442 |
Trichomonas vaginalis | DNA topoisomerase II, putative | 0.0092 | 0.2077 | 1 |
Echinococcus granulosus | DNA topoisomerase 3 beta 1 | 0.0028 | 0.04 | 0.1926 |
Echinococcus granulosus | DNA topoisomerase 3 alpha | 0.0028 | 0.04 | 0.1926 |
Schistosoma mansoni | DNA topoisomerase II | 0.0092 | 0.2077 | 1 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.0092 | 0.2077 | 1 |
Leishmania major | mitochondrial DNA topoisomerase II | 0.0227 | 0.5637 | 1 |
Trypanosoma brucei | DNA topoisomerase II beta, putative | 0.0064 | 0.1338 | 0.1791 |
Loa Loa (eye worm) | DNA topoisomerase III beta-1 | 0.0028 | 0.04 | 0.1926 |
Schistosoma mansoni | prokaryotic DNA topoisomerase | 0.0028 | 0.04 | 0.1926 |
Trypanosoma cruzi | DNA topoisomerase II, putative | 0.0064 | 0.1338 | 0.1791 |
Mycobacterium ulcerans | DNA gyrase subunit B | 0.0394 | 1 | 1 |
Mycobacterium tuberculosis | DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 0.0394 | 1 | 0.5 |
Trypanosoma brucei | DNA topoisomerase ii | 0.0227 | 0.5637 | 1 |
Loa Loa (eye worm) | DNA topoisomerase III | 0.0028 | 0.04 | 0.1926 |
Treponema pallidum | DNA gyrase, subunit B (gyrB) | 0.0394 | 1 | 1 |
Mycobacterium leprae | Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) | 0.0136 | 0.3221 | 1 |
Brugia malayi | GRF zinc finger family protein | 0.0028 | 0.04 | 0.1926 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.0092 | 0.2077 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0227 | 0.5637 | 1 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.0831 | 0.4001 |
Giardia lamblia | DNA topoisomerase II | 0.008 | 0.1753 | 1 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.0092 | 0.2077 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.0677 | 0.3257 |
Leishmania major | DNA topoisomerase ii | 0.0064 | 0.1338 | 0.1791 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0394 | 1 | 1 |
Echinococcus multilocularis | DNA topoisomerase 3 beta 1 | 0.0028 | 0.04 | 0.1926 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.0092 | 0.2077 | 1 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0939 | 0.4519 |
Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0227 | 0.5637 | 1 |
Plasmodium vivax | DNA topoisomerase II, putative | 0.0092 | 0.2077 | 0.1747 |
Brugia malayi | DNA topoisomerase III beta-1 | 0.0028 | 0.04 | 0.1926 |
Trypanosoma cruzi | DNA topoisomerase II, putative | 0.0064 | 0.1338 | 0.1791 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0394 | 1 | 1 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.0939 | 0.4519 |
Brugia malayi | Probable DNA topoisomerase II | 0.0092 | 0.2077 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.0754 | 0.2111 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.0092 | 0.2077 | 1 |
Onchocerca volvulus | DNA topoisomerase 2 homolog | 0.0092 | 0.2077 | 1 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.0831 | 0.4001 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase, topoisomerase II, B subunit, GyrB | 0.0394 | 1 | 1 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.0831 | 0.4001 |
Plasmodium falciparum | DNA topoisomerase 2 | 0.0092 | 0.2077 | 0.1747 |
Loa Loa (eye worm) | hypothetical protein | 0.0064 | 0.1338 | 0.6442 |
Brugia malayi | DNA topoisomerase III | 0.0028 | 0.04 | 0.1926 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | = 2.4 uM | Inhibition of CYP2D6 | ChEMBL. | 22153347 |
IC50 (ADMET) | = 11.3 uM | Inhibition of CYP2D6 | ChEMBL. | 22153347 |
Inhibition (ADMET) | Inhibition of CYP3A4 at 10 uM | ChEMBL. | 22153347 | |
Ki (binding) | Inhibition of muscarinic M1 receptor | ChEMBL. | 22153347 | |
Ki (functional) | = 5.7 nM | Antagonist activity at histamine H1 receptor | ChEMBL. | 22153347 |
Ki (functional) | = 8.9 nM | Antagonist activity at histamine H1 receptor | ChEMBL. | 22153347 |
Ki (binding) | = 2.6 uM | Displacement of [3H]dofetolide from human Erg | ChEMBL. | 22153347 |
Ki (binding) | > 3 uM | Displacement of [3H]dofetolide from human Erg | ChEMBL. | 22153347 |
Ki (binding) | > 10 uM | Inhibition of muscarinic M1 receptor | ChEMBL. | 22153347 |
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.
1 literature reference was collected for this gene.