Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Staphylococcus aureus | DNA gyrase | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania major | mitochondrial DNA topoisomerase II | DNA gyrase | 644 aa | 624 aa | 23.1 % |
Trypanosoma brucei gambiense | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 619 aa | 25.7 % |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | DNA gyrase | 644 aa | 615 aa | 22.6 % |
Leishmania braziliensis | DNA topoisomerase ii | DNA gyrase | 644 aa | 675 aa | 23.0 % |
Theileria parva | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 683 aa | 23.9 % |
Trypanosoma cruzi | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 674 aa | 23.0 % |
Leishmania mexicana | mitochondrial DNA topoisomerase II | DNA gyrase | 644 aa | 620 aa | 23.4 % |
Toxoplasma gondii | DNA topoisomerase 2, putative | DNA gyrase | 644 aa | 664 aa | 24.1 % |
Schistosoma mansoni | DNA topoisomerase II | DNA gyrase | 644 aa | 633 aa | 24.3 % |
Trypanosoma brucei | DNA topoisomerase II beta, putative | DNA gyrase | 644 aa | 570 aa | 24.0 % |
Brugia malayi | DNA topoisomerase II, alpha isozyme | DNA gyrase | 644 aa | 659 aa | 24.3 % |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | DNA gyrase | 644 aa | 548 aa | 25.7 % |
Candida albicans | DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) | DNA gyrase | 644 aa | 625 aa | 25.6 % |
Loa Loa (eye worm) | TOPoisomerase family member | DNA gyrase | 644 aa | 668 aa | 26.2 % |
Leishmania donovani | mitochondrial DNA topoisomerase II | DNA gyrase | 644 aa | 624 aa | 23.2 % |
Entamoeba histolytica | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 544 aa | 25.0 % |
Plasmodium falciparum | DNA topoisomerase 2 | DNA gyrase | 644 aa | 647 aa | 23.2 % |
Theileria parva | DNA gyrase subunit B, putative | DNA gyrase | 644 aa | 638 aa | 37.1 % |
Onchocerca volvulus | Ectoderm-expressed 4 homolog | DNA gyrase | 644 aa | 673 aa | 24.1 % |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | DNA gyrase | 644 aa | 615 aa | 22.6 % |
Leishmania mexicana | DNA topoisomerase ii | DNA gyrase | 644 aa | 668 aa | 23.1 % |
Trypanosoma cruzi | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 674 aa | 23.0 % |
Dictyostelium discoideum | DNA topoisomerase II | DNA gyrase | 644 aa | 655 aa | 23.8 % |
Candida albicans | DNA topoisomerase II similar to S. cerevisiae TOP2 (YNL088W) | DNA gyrase | 644 aa | 625 aa | 25.6 % |
Trypanosoma brucei | DNA topoisomerase ii | DNA gyrase | 644 aa | 619 aa | 25.7 % |
Plasmodium knowlesi | DNA gyrase subunit B, putative | DNA gyrase | 644 aa | 517 aa | 36.0 % |
Mycobacterium tuberculosis | DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | DNA gyrase | 644 aa | 661 aa | 53.0 % |
Plasmodium berghei | DNA gyrase subunit B, putative | DNA gyrase | 644 aa | 662 aa | 36.3 % |
Chlamydia trachomatis | DNA gyrase subunit B | DNA gyrase | 644 aa | 561 aa | 55.3 % |
Leishmania major | DNA topoisomerase ii | DNA gyrase | 644 aa | 672 aa | 23.4 % |
Mycobacterium leprae | Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) | DNA gyrase | 644 aa | 667 aa | 53.1 % |
Onchocerca volvulus | DNA gyrase | 644 aa | 624 aa | 25.8 % | |
Leishmania infantum | DNA topoisomerase ii | DNA gyrase | 644 aa | 666 aa | 23.6 % |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | DNA gyrase | 644 aa | 612 aa | 25.8 % |
Trypanosoma congolense | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 678 aa | 22.9 % |
Leishmania braziliensis | mitochondrial DNA topoisomerase II | DNA gyrase | 644 aa | 622 aa | 23.8 % |
Onchocerca volvulus | DNA gyrase | 644 aa | 618 aa | 26.5 % | |
Trypanosoma congolense | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 678 aa | 22.7 % |
Brugia malayi | Probable DNA topoisomerase II | DNA gyrase | 644 aa | 672 aa | 25.9 % |
Babesia bovis | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 587 aa | 22.7 % |
Mycobacterium ulcerans | DNA gyrase subunit B | DNA gyrase | 644 aa | 663 aa | 54.0 % |
Trypanosoma congolense | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 617 aa | 24.8 % |
Trypanosoma brucei gambiense | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 676 aa | 23.4 % |
Echinococcus granulosus | DNA topoisomerase 2 alpha | DNA gyrase | 644 aa | 613 aa | 25.9 % |
Trypanosoma brucei gambiense | DNA topoisomerase II, putative | DNA gyrase | 644 aa | 666 aa | 23.4 % |
Neospora caninum | hypothetical protein | DNA gyrase | 644 aa | 693 aa | 24.1 % |
Leishmania infantum | mitochondrial DNA topoisomerase II | DNA gyrase | 644 aa | 624 aa | 23.2 % |
Leishmania donovani | DNA topoisomerase ii | DNA gyrase | 644 aa | 666 aa | 23.4 % |
Trypanosoma brucei | DNA topoisomerase II alpha, putative | DNA gyrase | 644 aa | 676 aa | 23.4 % |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase, topoisomerase II, B subunit, GyrB | DNA gyrase | 644 aa | 561 aa | 50.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0045 | 0.2566 | 0.4046 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0039 | 0.2119 | 0.3341 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Brugia malayi | hypothetical protein | 0.0072 | 0.4755 | 0.7498 |
Mycobacterium leprae | Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) | 0.0065 | 0.4219 | 0.5 |
Echinococcus granulosus | DNA topoisomerase 2 alpha | 0.004 | 0.217 | 0.3421 |
Toxoplasma gondii | DNA gyrase/topoisomerase IV, A subunit domain-containing protein | 0.0136 | 1 | 1 |
Brugia malayi | Probable DNA topoisomerase II | 0.004 | 0.217 | 0.3421 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.01 | 0.0164 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.2897 | 0.5845 |
Loa Loa (eye worm) | TOPoisomerase family member | 0.004 | 0.217 | 0.3534 |
Plasmodium falciparum | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0039 | 0.2119 | 0.4274 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0072 | 0.476 | 0.3308 |
Toxoplasma gondii | DNA topoisomerase 2, putative | 0.004 | 0.217 | 0.1278 |
Schistosoma mansoni | voltage-gated potassium channel | 0.0049 | 0.2897 | 0.5845 |
Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.2089 | 0.3402 |
Echinococcus granulosus | jun protein | 0.0091 | 0.6342 | 1 |
Brugia malayi | DNA gyrase/topoisomerase IV, A subunit family protein | 0.004 | 0.217 | 0.3421 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0039 | 0.2119 | 0.3341 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.2328 | 1 |
Leishmania major | mitochondrial DNA topoisomerase II | 0.004 | 0.217 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0072 | 0.476 | 0.4707 |
Loa Loa (eye worm) | hypothetical protein | 0.0089 | 0.6139 | 1 |
Giardia lamblia | DNA topoisomerase II | 0.0036 | 0.1892 | 0.5 |
Schistosoma mansoni | jun-related protein | 0.0074 | 0.4958 | 1 |
Echinococcus multilocularis | jun protein | 0.0091 | 0.6342 | 1 |
Treponema pallidum | DNA gyrase, subunit A (gyrA) | 0.0136 | 1 | 1 |
Mycobacterium ulcerans | DNA gyrase subunit A | 0.0136 | 1 | 1 |
Brugia malayi | bZIP transcription factor family protein | 0.0091 | 0.6342 | 1 |
Plasmodium vivax | DNA gyrase subunit A, putative | 0.0136 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0014 | 0.01 | 0.0164 |
Trypanosoma brucei | DNA topoisomerase ii | 0.004 | 0.217 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0039 | 0.2119 | 0.4274 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription factor | 0.0091 | 0.6342 | 1 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.004 | 0.217 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.039 | 0.0635 |
Schistosoma mansoni | hypothetical protein | 0.0074 | 0.4958 | 1 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0045 | 0.2566 | 0.4046 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0045 | 0.2566 | 0.4046 |
Mycobacterium tuberculosis | DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) | 0.0136 | 1 | 1 |
Echinococcus multilocularis | DNA topoisomerase 2 alpha | 0.004 | 0.217 | 0.3421 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0072 | 0.476 | 0.4707 |
Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.039 | 0.0635 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0072 | 0.476 | 0.3308 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0045 | 0.2566 | 0.4179 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription factor | 0.0091 | 0.6342 | 1 |
Brugia malayi | DNA topoisomerase II, alpha isozyme | 0.004 | 0.217 | 0.3421 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0039 | 0.2119 | 0.3341 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0042 | 0.2328 | 1 |
Schistosoma mansoni | DNA topoisomerase II | 0.004 | 0.217 | 0.4377 |
Onchocerca volvulus | 0.0072 | 0.4755 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
AUC/dose (ADMET) | = 0.76 uM.hr | Dose normalized AUC in C57BL/6 mouse at 1 mg/kg, iv and 2 mg/kg, po | ChEMBL. | 24900889 |
ED50 (functional) | = 23 mg kg-1 | Antibacterial activity against Escherichia coli infected in iv dosed ICR mouse assessed as increase in mouse survival after 7 days | ChEMBL. | 24900889 |
Fu (ADMET) | > 25 % | Unbound fraction in human plasma | ChEMBL. | 24900889 |
IC50 (binding) | = 1.02 uM | Inhibition of Staphylococcus aureus DNA gyrase | ChEMBL. | 24900889 |
IC50 (binding) | = 18 uM | Inhibition of human ERG expressed in CHO cells by automated patch clamp assay | ChEMBL. | 24900889 |
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.