Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | hydroxysteroid (17-beta) dehydrogenase 4 | Starlite/ChEMBL | No references |
Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | 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 |
---|---|---|---|---|
Mycobacterium ulcerans | phosphopantetheinyl transferase, PptII | 0.0028 | 0.0549 | 0.1781 |
Echinococcus multilocularis | L aminoadipate semialdehyde | 0.01 | 1 | 0.5 |
Leishmania major | phosphopantetheinyl transferase-like protein | 0.0028 | 0.0549 | 0.5 |
Wolbachia endosymbiont of Brugia malayi | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.5 |
Onchocerca volvulus | 0.01 | 1 | 0.5 | |
Mycobacterium leprae | conserved hypothetical protein | 0.0028 | 0.0549 | 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 |
Brugia malayi | maoC like domain containing protein | 0.0048 | 0.308 | 0.308 |
Treponema pallidum | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0048 | 0.308 | 0.308 |
Echinococcus granulosus | L aminoadipate semialdehyde | 0.01 | 1 | 0.5 |
Toxoplasma gondii | MaoC family domain-containing protein | 0.0029 | 0.063 | 0.0432 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0028 | 0.0549 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.01 | 1 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0048 | 0.308 | 1 |
Plasmodium vivax | holo-[acyl-carrier-protein] synthase, putative | 0.0028 | 0.0549 | 0.5 |
Mycobacterium tuberculosis | Probable dehydrogenase. Possible 2-enoyl acyl-CoA hydratase. | 0.0048 | 0.308 | 1 |
Chlamydia trachomatis | holo [acyl-carrier protein] synthase | 0.0028 | 0.0549 | 0.5 |
Mycobacterium ulcerans | dehydratase | 0.0048 | 0.308 | 1 |
Toxoplasma gondii | sterol carrier protein-2 HAD-2SCP-2 | 0.0043 | 0.2441 | 1 |
Plasmodium falciparum | holo-[acyl-carrier-protein] synthase, putative | 0.0028 | 0.0549 | 0.5 |
Mycobacterium ulcerans | 4'-phosphopantetheinyl transferase | 0.0028 | 0.0549 | 0.1781 |
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 |
Schistosoma mansoni | aminoadipate-semialdehyde dehydrogenase | 0.01 | 1 | 0.5 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | = 15.8 uM | Cytotoxicity against human HepG2 cells assessed as cellular ATP content after 48 hrs by CellTiter-Glo assay | ChEMBL. | 24450337 |
Potency (functional) | 0.3981 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) | 6.3096 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) | 7.9433 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) | 17.0961 uM | PubChem BioAssay. Extended Characterization of HPGD Inhibitors: Counterscreen Against HSD17b4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 21.5227 uM | PubChem BioAssay. Extended Characterization of HPGD Inhibitors: Counterscreen Against HSD17b4. (Class of assay: confirmatory) | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | 24450337 |
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.