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 |
---|---|---|---|---|---|
Entamoeba histolytica | hypothetical protein | 4'-phosphopantetheinyl transferase ffp | 224 aa | 198 aa | 28.3 % |
Trichomonas vaginalis | conserved hypothetical protein | 4'-phosphopantetheinyl transferase ffp | 224 aa | 197 aa | 22.3 % |
Onchocerca volvulus | 4'-phosphopantetheinyl transferase ffp | 224 aa | 186 aa | 26.3 % | |
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 |
---|---|---|---|---|
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 |
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 |
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 |
Mycobacterium ulcerans | dehydratase | 0.0048 | 0.308 | 1 |
Chlamydia trachomatis | holo [acyl-carrier protein] synthase | 0.0028 | 0.0549 | 0.5 |
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 |
Treponema pallidum | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.5 |
Brugia malayi | maoC like domain containing protein | 0.0048 | 0.308 | 0.308 |
Echinococcus granulosus | L aminoadipate semialdehyde | 0.01 | 1 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0048 | 0.308 | 0.308 |
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 |
Mycobacterium ulcerans | phosphopantetheinyl transferase, PptII | 0.0028 | 0.0549 | 0.1781 |
Mycobacterium tuberculosis | Probable 3-hydroxyacyl-thioester dehydratase HtdY | 0.0048 | 0.308 | 1 |
Entamoeba histolytica | hypothetical protein | 0.0028 | 0.0549 | 0.5 |
Mycobacterium leprae | conserved hypothetical protein | 0.0028 | 0.0549 | 0.5 |
Onchocerca volvulus | 0.01 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 3.1623 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) | 19.1821 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.