Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Mycobacterium smegmatis | DNA gyrase subunit B | Starlite/ChEMBL | References |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Schistosoma mansoni | cation chloride cotransporter | 0.0184 | 0.1213 | 0.118 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Mycobacterium tuberculosis | Probable GABA permease GabP (4-amino butyrate transport carrier) (GAMA-aminobutyrate permease) | 0.0184 | 0.1213 | 1 |
Loa Loa (eye worm) | amino acid permease | 0.1295 | 1 | 1 |
Mycobacterium leprae | POSSIBLE L-ASPARAGINE PERMEASE ANSP1 (L-ASPARAGINE TRANSPORT PROTEIN) | 0.0184 | 0.1213 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Mycobacterium tuberculosis | Probable D-serine/alanine/glycine transporter protein CycA | 0.0184 | 0.1213 | 1 |
Brugia malayi | solute carrier family 12 member 1 | 0.0184 | 0.1213 | 0.118 |
Wolbachia endosymbiont of Brugia malayi | DNA gyrase, topoisomerase II, B subunit, GyrB | 0.0153 | 0.0964 | 0.5 |
Echinococcus granulosus | solute carrier family 12 | 0.1295 | 1 | 1 |
Mycobacterium ulcerans | D-serine/D-alanine/glycine transporter, CycA | 0.0184 | 0.1213 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Chlamydia trachomatis | DNA gyrase subunit B | 0.0153 | 0.0964 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Trichomonas vaginalis | aromatic amino acid transporter, putative | 0.0184 | 0.1213 | 1 |
Plasmodium vivax | DNA gyrase subunit B, putative | 0.0153 | 0.0964 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0184 | 0.1213 | 0.118 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Echinococcus granulosus | cation chloride cotransporter | 0.0184 | 0.1213 | 0.118 |
Mycobacterium leprae | POSSIBLE L-ASPARAGINE PERMEASE ANSP2 (L-ASPARAGINE TRANSPORT PROTEIN) | 0.0184 | 0.1213 | 1 |
Trypanosoma brucei | DNA topoisomerase ii | 0.0088 | 0.0454 | 0.5 |
Trichomonas vaginalis | cation chloride cotransporter, putative | 0.0184 | 0.1213 | 1 |
Trichomonas vaginalis | gaba permease, putative | 0.0184 | 0.1213 | 1 |
Echinococcus multilocularis | solute carrier family 12 | 0.1295 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0184 | 0.1213 | 0.118 |
Brugia malayi | hypothetical protein | 0.0184 | 0.1213 | 0.118 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Onchocerca volvulus | Solute carrier family 12 member 8 homolog | 0.0184 | 0.1213 | 1 |
Schistosoma mansoni | solute carrier family 12 k-cl cotransporter | 0.0184 | 0.1213 | 0.118 |
Onchocerca volvulus | Solute carrier family 12 member 9 homolog | 0.0184 | 0.1213 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Brugia malayi | Amino acid permease family protein | 0.1295 | 1 | 1 |
Loa Loa (eye worm) | solute carrier family 12 member 1 | 0.0184 | 0.1213 | 0.118 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Echinococcus multilocularis | cation chloride cotransporter | 0.0184 | 0.1213 | 0.118 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Trichomonas vaginalis | lysine-specific permease, putative | 0.0184 | 0.1213 | 1 |
Leishmania major | mitochondrial DNA topoisomerase II | 0.0088 | 0.0454 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.0088 | 0.0454 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Treponema pallidum | DNA gyrase, subunit B (gyrB) | 0.0153 | 0.0964 | 0.5 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Mycobacterium ulcerans | GabA permease GabP | 0.0184 | 0.1213 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Trichomonas vaginalis | cation chloride cotransporter, putative | 0.0184 | 0.1213 | 1 |
Plasmodium falciparum | DNA gyrase subunit B | 0.0153 | 0.0964 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0184 | 0.1213 | 0.118 |
Trichomonas vaginalis | amino acid permease, putative | 0.0184 | 0.1213 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.0454 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.1295 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0184 | 0.1213 | 0.118 |
Schistosoma mansoni | solute carrier family 12 electroneutral k-cl cotransporter | 0.1295 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.1111 | 0.8542 | 0.8537 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Trypanosoma cruzi | mitochondrial DNA topoisomerase II, putative | 0.0088 | 0.0454 | 0.5 |
Giardia lamblia | DNA topoisomerase II | 0.0031 | 0 | 0.5 |
Mycobacterium tuberculosis | Possible L-asparagine permease AnsP2 (L-asparagine transport protein) | 0.0184 | 0.1213 | 1 |
Entamoeba histolytica | DNA topoisomerase II, putative | 0.0036 | 0.0038 | 0.5 |
Brugia malayi | Amino acid permease family protein | 0.0184 | 0.1213 | 0.118 |
Mycobacterium ulcerans | L-asparagine permease AnsP1 | 0.0184 | 0.1213 | 1 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0184 | 0.1213 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Cp(f) (ADMET) | = 5 uM | Fraction unbound in human plasma | ChEMBL. | 24088190 |
IC50 (binding) | = 1 nM | Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric analysis | ChEMBL. | 24088190 |
MIC (functional) | = 0.14 uM | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as growth inhibition by standard microdilution method | ChEMBL. | 24088190 |
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.