Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | pyruvate dehydrogenase kinase, isozyme 2 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Trypanosoma brucei | pyruvate dehydrogenase (lipoamide) kinase, putative | pyruvate dehydrogenase kinase, isozyme 2 | 343 aa | 321 aa | 22.7 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Schistosoma mansoni | pyruvate dehydrogenase | 0.0136 | 0.4047 | 0.4047 |
Echinococcus multilocularis | tubulin subunit beta | 0.0189 | 1 | 1 |
Plasmodium falciparum | tubulin beta chain | 0.0189 | 1 | 0.5 |
Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0189 | 1 | 0.5 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0144 | 0.4948 | 0.4948 |
Schistosoma mansoni | tubulin subunit beta | 0.0189 | 1 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0144 | 0.4948 | 0.4948 |
Echinococcus multilocularis | Pyruvate dehydrogenase (lipoamide) kinase | 0.0144 | 0.4948 | 0.4948 |
Brugia malayi | kinase, mitochondrial precursor | 0.0144 | 0.4948 | 0.4948 |
Schistosoma mansoni | tubulin subunit beta | 0.0189 | 1 | 1 |
Giardia lamblia | Beta tubulin | 0.0189 | 1 | 0.5 |
Trichomonas vaginalis | tubulin alpha chain, putative | 0.0189 | 1 | 0.5 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Entamoeba histolytica | tubulin family protein | 0.0189 | 1 | 0.5 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Brugia malayi | beta-tubulin, identical | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Echinococcus granulosus | tubulin beta 1 chain | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Toxoplasma gondii | beta tubulin | 0.0189 | 1 | 0.5 |
Echinococcus multilocularis | tubulin beta 1 chain | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Trypanosoma cruzi | beta tubulin, putative | 0.0189 | 1 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Onchocerca volvulus | Neuropeptide F receptor homolog | 0.01 | 0 | 0.5 |
Trichomonas vaginalis | tubulin beta chain, putative | 0.0189 | 1 | 0.5 |
Plasmodium vivax | tubulin beta chain, putative | 0.0189 | 1 | 0.5 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Trypanosoma brucei | beta tubulin | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Loa Loa (eye worm) | BEN-1 protein | 0.0189 | 1 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Trypanosoma brucei | beta tubulin | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Loa Loa (eye worm) | BEN-1 protein | 0.0189 | 1 | 1 |
Toxoplasma gondii | beta-1 tubulin, putative | 0.0189 | 1 | 0.5 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0136 | 0.4047 | 0.4047 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Entamoeba histolytica | tubulin family protein | 0.0189 | 1 | 0.5 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Loa Loa (eye worm) | tubulin beta-2A chain | 0.0189 | 1 | 1 |
Echinococcus granulosus | tubulin subunit beta | 0.0189 | 1 | 1 |
Echinococcus granulosus | Pyruvate dehydrogenase lipoamide kinase | 0.0144 | 0.4948 | 0.4948 |
Trichomonas vaginalis | tubulin, putative | 0.0189 | 1 | 0.5 |
Echinococcus multilocularis | tubulin, beta 4A class IVa | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Giardia lamblia | Beta tubulin | 0.0189 | 1 | 0.5 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0189 | 1 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Echinococcus granulosus | beta tubulin | 0.0189 | 1 | 1 |
Echinococcus granulosus | tubulin beta 4A class IVa | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Trichomonas vaginalis | tubulin epsilon chain, putative | 0.0189 | 1 | 0.5 |
Loa Loa (eye worm) | tubulin beta chain | 0.0189 | 1 | 1 |
Loa Loa (eye worm) | beta-tubulin | 0.0189 | 1 | 1 |
Echinococcus granulosus | beta tubulin | 0.0189 | 1 | 1 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Trypanosoma brucei | beta tubulin | 0.0189 | 1 | 1 |
Schistosoma mansoni | pyruvate dehydrogenase | 0.0144 | 0.4948 | 0.4948 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Trichomonas vaginalis | tubulin gamma chain, putative | 0.0189 | 1 | 0.5 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Toxoplasma gondii | beta-tubulin, putative | 0.0189 | 1 | 0.5 |
Echinococcus multilocularis | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Loa Loa (eye worm) | tubulin beta-1 chain | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Trypanosoma brucei | beta tubulin | 0.0189 | 1 | 1 |
Echinococcus multilocularis | beta tubulin | 0.0189 | 1 | 1 |
Echinococcus granulosus | Tubulin beta 2C chain | 0.0189 | 1 | 1 |
Onchocerca volvulus | 0.01 | 0 | 0.5 | |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Schistosoma mansoni | tubulin subunit beta | 0.0189 | 1 | 1 |
Giardia lamblia | Beta tubulin | 0.0189 | 1 | 0.5 |
Leishmania major | beta tubulin | 0.0189 | 1 | 1 |
Loa Loa (eye worm) | tubulin beta-4 chain | 0.0189 | 1 | 1 |
Onchocerca volvulus | Dopamine\/Ecdysteroid receptor homolog | 0.01 | 0 | 0.5 |
Echinococcus multilocularis | beta tubulin | 0.0189 | 1 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (binding) | = 52 nM | BindingDB_Patents: Inhibition Assay. The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the residual PDH activity. For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta-thiogalactopyranoside. Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was separated using FLAG affinity gel (Sigma). The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES. | 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.