Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Homo sapiens | histamine receptor H1 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
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 | Cytochrome P450 family protein | 0.0019 | 0 | 0.5 |
Entamoeba histolytica | fatty acid elongase, putative | 0.0084 | 0.1033 | 0.5 |
Entamoeba histolytica | fatty acid elongase, putative | 0.0084 | 0.1033 | 0.5 |
Mycobacterium ulcerans | beta-ketoacyl synthase-like protein | 0.0645 | 1 | 1 |
Mycobacterium tuberculosis | 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) | 0.0645 | 1 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0 | 0.5 |
Entamoeba histolytica | fatty acid elongase, putative | 0.0084 | 0.1033 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0019 | 0 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0019 | 0 | 0.5 |
Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0645 | 1 | 1 |
Trypanosoma brucei | cytochrome P450, putative | 0.0019 | 0 | 0.5 |
Wolbachia endosymbiont of Brugia malayi | 3-oxoacyl-ACP synthase | 0.0645 | 1 | 0.5 |
Plasmodium vivax | beta-ketoacyl-acyl carrier protein synthase III precursor, putative | 0.0645 | 1 | 0.5 |
Entamoeba histolytica | fatty acid elongase, putative | 0.0084 | 0.1033 | 0.5 |
Plasmodium falciparum | beta-ketoacyl-ACP synthase III | 0.0645 | 1 | 0.5 |
Entamoeba histolytica | fatty acid elongase, putative | 0.0084 | 0.1033 | 0.5 |
Leishmania major | cytochrome p450-like protein | 0.0019 | 0 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0 | 0.5 |
Mycobacterium ulcerans | 3-oxoacyl-ACP synthase | 0.0645 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (binding) | = 0 % | Displacement of labeled dofetilide from human ERG at 3 uM | ChEMBL. | 21232954 |
IC50 (ADMET) | = 1405 nM | Inhibition of CYP3A4 | ChEMBL. | 21232954 |
IC50 (ADMET) | = 7533 nM | Inhibition of CYP2D6 | ChEMBL. | 21232954 |
Ki (binding) | = 249 nM | Binding affinity to histamine H1 receptor | ChEMBL. | 21232954 |
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.