Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Starlite/ChEMBL | No references |
Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 4 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Onchocerca volvulus | 4'-phosphopantetheinyl transferase ffp | 224 aa | 186 aa | 26.3 % | |
Trichomonas vaginalis | conserved hypothetical protein | 4'-phosphopantetheinyl transferase ffp | 224 aa | 197 aa | 22.3 % |
Entamoeba histolytica | hypothetical protein | 4'-phosphopantetheinyl transferase ffp | 224 aa | 198 aa | 28.3 % |
Candida albicans | aminoadipate-semialdehyde dehydrogenase small subunit | 4'-phosphopantetheinyl transferase ffp | 224 aa | 183 aa | 27.3 % |
Candida albicans | aminoadipate-semialdehyde dehydrogenase small subunit | 4'-phosphopantetheinyl transferase ffp | 224 aa | 183 aa | 27.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | aminoadipate-semialdehyde dehydrogenase | 0.01 | 1 | 0.5 |
Mycobacterium tuberculosis | holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie | 0.0028 | 0.0549 | 0.1781 |
Mycobacterium ulcerans | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.1781 |
Plasmodium falciparum | holo-[acyl-carrier-protein] synthase, putative | 0.0028 | 0.0549 | 0.5 |
Toxoplasma gondii | sterol carrier protein-2 HAD-2SCP-2 | 0.0043 | 0.2441 | 1 |
Mycobacterium tuberculosis | Probable dehydrogenase. Possible 2-enoyl acyl-CoA hydratase. | 0.0048 | 0.308 | 1 |
Plasmodium vivax | holo-[acyl-carrier-protein] synthase, putative | 0.0028 | 0.0549 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0048 | 0.308 | 1 |
Mycobacterium ulcerans | dehydratase | 0.0048 | 0.308 | 1 |
Chlamydia trachomatis | holo [acyl-carrier protein] synthase | 0.0028 | 0.0549 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.01 | 1 | 1 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0028 | 0.0549 | 0.5 |
Toxoplasma gondii | MaoC family domain-containing protein | 0.0029 | 0.063 | 0.0432 |
Loa Loa (eye worm) | hypothetical protein | 0.0048 | 0.308 | 0.308 |
Echinococcus granulosus | L aminoadipate semialdehyde | 0.01 | 1 | 0.5 |
Brugia malayi | maoC like domain containing protein | 0.0048 | 0.308 | 0.308 |
Treponema pallidum | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.5 |
Onchocerca volvulus | 0.01 | 1 | 0.5 | |
Entamoeba histolytica | hypothetical protein | 0.0028 | 0.0549 | 0.5 |
Mycobacterium tuberculosis | Probable 3-hydroxyacyl-thioester dehydratase HtdY | 0.0048 | 0.308 | 1 |
Mycobacterium leprae | conserved hypothetical protein | 0.0028 | 0.0549 | 0.5 |
Mycobacterium ulcerans | phosphopantetheinyl transferase, PptII | 0.0028 | 0.0549 | 0.1781 |
Wolbachia endosymbiont of Brugia malayi | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.5 |
Leishmania major | phosphopantetheinyl transferase-like protein | 0.0028 | 0.0549 | 0.5 |
Echinococcus multilocularis | L aminoadipate semialdehyde | 0.01 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 1.5849 uM | PubChem BioAssay. Gel-Based Assay for Inhibitos of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase): Chemistry Optimization Follow up. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 13.5799 uM | PubChem BioAssay. Extended Characterization of HPGD Inhibitors: Counterscreen Against HSD17b4. (Class of assay: confirmatory) | ChEMBL. | No reference |
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.