Detailed information for compound 1767781

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.406 | Formula: C19H16N2O5S
  • H donors: 2 H acceptors: 4 LogP: 3.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)/C=C/1\S/C(=N\c2cccc(c2)C(=O)O)/N(C1=O)C
  • InChi: 1S/C19H16N2O5S/c1-21-17(23)16(9-11-6-7-14(22)15(8-11)26-2)27-19(21)20-13-5-3-4-12(10-13)18(24)25/h3-10,22H,1-2H3,(H,24,25)/b16-9-,20-19-
  • InChiKey: WGCCUPABHFATCC-HFCQHAABSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis cysteine synthase Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi serine sulfhydrylase Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cystathionine beta-synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania infantum cysteine synthase Get druggable targets OG5_126662 All targets in OG5_126662
Brugia malayi Pyridoxal-phosphate dependent enzyme family protein Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma brucei gambiense cystathionine beta-synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cystathionine beta-synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Candida albicans cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cystathionine beta-synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium ulcerans cysteine synthase a CysK1 Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Entamoeba histolytica cysteine synthase A, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis threonine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium tuberculosis Cysteine synthase B CysM (CSASE B) (O-phosphoserine sulfhydrylase B) (O-phosphoserine (thiol)-lyase B) Get druggable targets OG5_126662 All targets in OG5_126662
Schistosoma mansoni cysteine synthase Get druggable targets OG5_126662 All targets in OG5_126662
Schistosoma mansoni cysteine synthase Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium tuberculosis Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A) Get druggable targets OG5_126662 All targets in OG5_126662
Toxoplasma gondii pyridoxal-phosphate dependent superfamily protein Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania mexicana cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium ulcerans cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Loa Loa (eye worm) cbs-prov protein Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania braziliensis cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium leprae PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A) Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi serine sulfhydrylase Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi serine sulfhydrylase Get druggable targets OG5_126662 All targets in OG5_126662
Entamoeba histolytica cysteine synthase A, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma cruzi serine sulfhydrylase Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania mexicana cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Candida albicans cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania donovani cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania infantum cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Brugia malayi cbs-prov protein Get druggable targets OG5_126662 All targets in OG5_126662
Toxoplasma gondii CBS family protein Get druggable targets OG5_126662 All targets in OG5_126662
Schistosoma japonicum expressed protein Get druggable targets OG5_126662 All targets in OG5_126662
Entamoeba histolytica cysteine synthase A, putative Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania major cysteine synthase Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Trypanosoma brucei cystathionine beta-synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium ulcerans cysteine synthase B Get druggable targets OG5_126662 All targets in OG5_126662
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis cysteine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Neospora caninum Protein ZC373.1, partially confirmed by transcript evidence, related Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania major cystathionine beta-synthase Get druggable targets OG5_126662 All targets in OG5_126662
Trichomonas vaginalis threonine synthase, putative Get druggable targets OG5_126662 All targets in OG5_126662
Leishmania donovani cysteine synthase Get druggable targets OG5_126662 All targets in OG5_126662
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Pyridoxal-phosphate dependent enzyme family protein Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A) 310 aa 337 aa 24.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei beta tubulin 0.0022 0.0235 0.0235
Echinococcus granulosus tubulin alpha chain 0.0041 0.0701 0.0476
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0146 0.3265 1
Leishmania major trypanothione reductase 0.0421 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0641 0.1964
Giardia lamblia Alpha-tubulin 0.0041 0.0701 0.1536
Echinococcus granulosus glutamate synthase 0.0039 0.0641 0.0416
Plasmodium vivax thioredoxin reductase, putative 0.0421 1 1
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0039 0.0641 0.0416
Loa Loa (eye worm) alpha-tubulin 0.0041 0.0701 0.0551
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.0701 0.2146
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0146 0.3265 1
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Plasmodium vivax tubulin alpha chain, putative 0.0041 0.0701 0.0476
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0039 0.0641 0.8723
Toxoplasma gondii alpha-tubulin I, putative 0.0041 0.0701 0.0476
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0039 0.0641 0.0416
Toxoplasma gondii selenide, water dikinase 0.0039 0.0641 0.0416
Echinococcus multilocularis Tubulin alpha 1 chain 0.0041 0.0701 0.0476
Plasmodium falciparum thioredoxin reductase 0.0421 1 1
Schistosoma mansoni disulfide oxidoreductase 0.0039 0.0641 0.0416
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0146 0.3265 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0146 0.3265 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0421 1 1
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0039 0.0641 0.0416
Echinococcus multilocularis thioredoxin glutathione reductase 0.0421 1 1
Leishmania major NADH dehydrogenase, putative 0.0039 0.0641 0.0416
Echinococcus multilocularis glutamate synthase 0.0039 0.0641 0.0416
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0146 0.3265 0.3102
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0641 0.0416
Schistosoma mansoni sulfide quinone reductase 0.0039 0.0641 0.0416
Trichomonas vaginalis tubulin gamma chain, putative 0.0022 0.0235 0.0721
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0039 0.0641 0.134
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0039 0.0641 0.0416
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0146 0.3265 0.3102
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0039 0.0641 0.0416
Echinococcus multilocularis tubulin alpha 1C chain 0.0041 0.0701 0.0476
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Echinococcus multilocularis tubulin alpha 1C chain 0.0041 0.0701 0.0476
Schistosoma mansoni alpha tubulin 0.0041 0.0701 0.0476
Leishmania major hypothetical protein, conserved 0.0039 0.0641 0.0416
Trichomonas vaginalis tubulin epsilon chain, putative 0.0022 0.0235 0.0721
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0146 0.3265 1
Schistosoma mansoni tubulin subunit alpha 0.0041 0.0701 0.0476
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0146 0.3265 0.3102
Echinococcus multilocularis tubulin subunit TubB 0.0041 0.0701 0.0476
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0641 0.0641
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0039 0.0641 0.0416
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0421 1 1
Echinococcus multilocularis tubulin alpha chain 0.0041 0.0701 0.0476
Plasmodium vivax tubulin alpha chain, putative 0.0041 0.0701 0.0476
Trichomonas vaginalis tubulin alpha chain, putative 0.0022 0.0235 0.0721
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.0701 0.2146
Loa Loa (eye worm) beta-tubulin 0.0022 0.0235 0.0078
Trypanosoma brucei epsilon tubulin 0.0022 0.0235 0.0235
Trypanosoma brucei alpha tubulin 0.0041 0.0701 0.0701
Loa Loa (eye worm) tubulin gamma chain 0.0022 0.0235 0.0078
Loa Loa (eye worm) tubulin alpha chain 0.0041 0.0701 0.0551
Trypanosoma brucei epsilon tubulin 0.0022 0.0235 0.0235
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0146 0.3265 0.3265
Brugia malayi Tubulin gamma chain 0.0022 0.0235 0.0235
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0039 0.0641 0.0416
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0146 0.3265 0.3102
Loa Loa (eye worm) hypothetical protein 0.0029 0.0394 0.0239
Entamoeba histolytica disulphide oxidoreductase, putative 0.0039 0.0641 0.8723
Echinococcus multilocularis Tubulin alpha 1 chain 0.0041 0.0701 0.0476
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0641 0.0641
Trypanosoma brucei alpha tubulin 0.0041 0.0701 0.0701
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Brugia malayi glutamate synthase 0.0039 0.0641 0.0641
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0039 0.0641 0.0641
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0146 0.3265 0.3265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0146 0.3265 0.2803
Echinococcus granulosus alpha tubulin 0.0041 0.0701 0.0476
Loa Loa (eye worm) tubulin alpha-3 chain 0.0029 0.0394 0.0239
Plasmodium falciparum glutathione reductase 0.0146 0.3265 0.3102
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0039 0.0641 0.0641
Trypanosoma brucei NADH dehydrogenase 0.0039 0.0641 0.0641
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0641 0.0641
Trichomonas vaginalis apoptosis inducing factor, putative 0.0039 0.0641 0.1964
Trichomonas vaginalis mercuric reductase, putative 0.0146 0.3265 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0022 0.0235 0.0721
Trichomonas vaginalis tubulin epsilon chain, putative 0.0022 0.0235 0.0721
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0039 0.0641 0.0416
Schistosoma mansoni alpha tubulin 0.0041 0.0701 0.0476
Trypanosoma cruzi NADH dehydrogenase, putative 0.0039 0.0641 0.0416
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0039 0.0641 0.0416
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0146 0.3265 0.3102
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0039 0.0641 0.0416
Echinococcus granulosus Tubulin alpha 1 chain 0.0041 0.0701 0.0476
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0641 0.1964
Brugia malayi Thioredoxin reductase 0.0421 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0146 0.3265 0.3102
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0039 0.0641 0.0416
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Entamoeba histolytica tubulin alpha chain, putative 0.0041 0.0701 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0039 0.0641 0.1964
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0039 0.0641 0.0416
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Leishmania major hypothetical protein, conserved 0.0039 0.0641 0.0416
Brugia malayi tubulin alpha chain - mouse 0.0041 0.0701 0.0701
Trypanosoma cruzi NADH dehydrogenase, putative 0.0039 0.0641 0.0416
Echinococcus granulosus tubulin subunit TubB 0.0041 0.0701 0.0476
Schistosoma mansoni hypothetical protein 0.0039 0.0641 0.0416
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0641 0.0416
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0039 0.0641 0.8723
Trypanosoma cruzi trypanothione reductase, putative 0.0421 1 1
Echinococcus granulosus tubulin alpha chain 0.0041 0.0701 0.0476
Echinococcus multilocularis tubulin alpha 3 chain 0.0041 0.0701 0.0476
Leishmania major hypothetical protein, conserved 0.0039 0.0641 0.0416
Giardia lamblia Thioredoxin reductase 0.0039 0.0641 0.134
Echinococcus granulosus tubulin alpha 1C chain 0.0041 0.0701 0.0476
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0039 0.0641 0.0416
Echinococcus multilocularis peroxisome assembly protein 26 0.0041 0.0701 0.0476
Schistosoma mansoni tubulin subunit alpha 0.0041 0.0701 0.0476
Plasmodium falciparum alpha tubulin 1 0.0041 0.0701 0.0476
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Trichomonas vaginalis tubulin gamma chain, putative 0.0022 0.0235 0.0721
Trichomonas vaginalis tubulin epsilon chain, putative 0.0041 0.0701 0.2146
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0641 0.1964
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.0701 0.2146
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0039 0.0641 0.0641
Trichomonas vaginalis tubulin beta chain, putative 0.0022 0.0235 0.0721
Schistosoma mansoni glutamate synthase 0.0039 0.0641 0.0416
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0039 0.0641 0.0416
Loa Loa (eye worm) tubulin beta-4 chain 0.0022 0.0235 0.0078
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0039 0.0641 0.1964
Trypanosoma brucei tubulin gamma chain 0.0022 0.0235 0.0235
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0039 0.0641 0.1964
Plasmodium vivax glutathione reductase, putative 0.0421 1 1
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0146 0.3265 0.2803
Onchocerca volvulus 0.0039 0.0641 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0146 0.3265 1
Loa Loa (eye worm) BEN-1 protein 0.0022 0.0235 0.0078
Echinococcus multilocularis hypothetical protein 0.0041 0.0701 0.0476
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0039 0.0641 0.0416
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0039 0.0641 0.0416
Giardia lamblia Alpha-tubulin 0.0041 0.0701 0.1536
Brugia malayi Tubulin alpha-2 chain 0.0041 0.0701 0.0701
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0039 0.0641 0.0416
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0039 0.0641 0.1964
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0107 0.2317 0.2317
Echinococcus multilocularis tubulin alpha chain 0.0041 0.0701 0.0476
Treponema pallidum NADH oxidase 0.0146 0.3265 1
Trypanosoma brucei beta tubulin 0.0022 0.0235 0.0235
Schistosoma mansoni tubulin subunit alpha 0.0041 0.0701 0.0476
Trypanosoma brucei epsilon tubulin 0.0022 0.0235 0.0235
Loa Loa (eye worm) hypothetical protein 0.0041 0.0701 0.0551
Loa Loa (eye worm) hypothetical protein 0.0032 0.0465 0.0312
Loa Loa (eye worm) thioredoxin reductase 0.0421 1 1
Echinococcus multilocularis tubulin alpha chain 0.0041 0.0701 0.0476
Plasmodium vivax ferrodoxin reductase, putative 0.0039 0.0641 0.0416
Trichomonas vaginalis tubulin epsilon chain, putative 0.0041 0.0701 0.2146
Brugia malayi tubulin alpha-2 chain 0.0041 0.0701 0.0701
Loa Loa (eye worm) programmed cell death 8 0.0039 0.0641 0.0491
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Echinococcus granulosus tubulin alpha chain 0.0041 0.0701 0.0476
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0029 0.0394 0.1206
Loa Loa (eye worm) tubulin alpha 2 0.0032 0.0465 0.0312
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0039 0.0641 0.0416
Schistosoma mansoni alpha tubulin 0.0041 0.0701 0.0476
Trichomonas vaginalis tubulin, putative 0.0022 0.0235 0.0721
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0039 0.0641 0.0416
Brugia malayi Tubulin alpha chain 0.0041 0.0701 0.0701
Echinococcus granulosus tubulin alpha 3 chain 0.0041 0.0701 0.0476
Loa Loa (eye worm) tubulin beta-2A chain 0.0022 0.0235 0.0078
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0146 0.3265 0.3265
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0146 0.3265 0.2803
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0039 0.0641 0.8723
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0146 0.3265 0.3265
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0041 0.0701 0.2146
Trichomonas vaginalis tubulin alpha chain, putative 0.0022 0.0235 0.0721
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0039 0.0641 0.0416
Loa Loa (eye worm) tubulin alpha 2 0.0032 0.0465 0.0312
Echinococcus granulosus Tubulin alpha 1 chain 0.0041 0.0701 0.0476
Trypanosoma brucei beta tubulin 0.0022 0.0235 0.0235
Brugia malayi alpha-tubulin 0.0041 0.0701 0.0701
Trypanosoma brucei trypanothione reductase 0.0421 1 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0039 0.0641 0.0416
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0146 0.3265 0.3102
Trypanosoma cruzi alpha tubulin, putative 0.0041 0.0701 0.0476
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0039 0.0641 0.0491
Echinococcus granulosus peroxisome assembly protein 26 0.0041 0.0701 0.0476
Echinococcus granulosus tubulin alpha chain 0.0041 0.0701 0.0476
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0039 0.0641 0.0416
Toxoplasma gondii alpha tubulin TUBA1 0.0041 0.0701 0.0476
Trypanosoma cruzi trypanothione reductase, putative 0.0146 0.3265 0.3102
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0039 0.0641 0.0416
Loa Loa (eye worm) tubulin beta chain 0.0022 0.0235 0.0078
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Trichomonas vaginalis glutamate synthase, putative 0.0039 0.0641 0.1964
Plasmodium falciparum alpha tubulin 2 0.0041 0.0701 0.0476
Loa Loa (eye worm) glutathione reductase 0.0421 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Trichomonas vaginalis glutathione reductase, putative 0.0146 0.3265 1
Echinococcus granulosus tubulin alpha chain 0.0041 0.0701 0.0476
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0039 0.0641 0.0416
Schistosoma mansoni glutamate synthase 0.0039 0.0641 0.0416
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Trichomonas vaginalis glutamate synthase, putative 0.0039 0.0641 0.1964
Echinococcus granulosus tubulin alpha 3 chain 0.0041 0.0701 0.0476
Schistosoma mansoni glutamate synthase 0.0039 0.0641 0.0416
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0641 0.0416
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0039 0.0641 0.0641
Trypanosoma brucei beta tubulin 0.0022 0.0235 0.0235
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0039 0.0641 0.8723
Echinococcus multilocularis Tubulin alpha 1 chain 0.0041 0.0701 0.0476
Trypanosoma brucei alpha tubulin 0.0041 0.0701 0.0701
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.0701 0.2146
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0146 0.3265 1
Loa Loa (eye worm) tubulin alpha chain 0.0041 0.0701 0.0551
Loa Loa (eye worm) alpha-tubulin 0.0041 0.0701 0.0551
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0039 0.0641 0.8723
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0107 0.2317 0.2317
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0146 0.3265 0.3102
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.0701 0.2146
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0641 0.1964
Plasmodium falciparum ferrodoxin reductase-like protein 0.0039 0.0641 0.0416
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0039 0.0641 0.0416
Giardia lamblia Glutamate synthase 0.0039 0.0641 0.134
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0146 0.3265 0.3102
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.0701 0.2146
Echinococcus multilocularis tubulin alpha 3 chain 0.0041 0.0701 0.0476
Entamoeba histolytica thioredoxin reductase, putative 0.0039 0.0641 0.8723
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0146 0.3265 0.3102
Trypanosoma brucei beta tubulin 0.0022 0.0235 0.0235
Plasmodium falciparum glutathione reductase 0.0421 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0039 0.0641 0.0416
Brugia malayi Tubulin alpha-2 chain 0.0041 0.0701 0.0701
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.3265 0.3102
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Brugia malayi beta-tubulin, identical 0.0022 0.0235 0.0235
Loa Loa (eye worm) tubulin beta-1 chain 0.0022 0.0235 0.0078
Loa Loa (eye worm) tubulin alpha-2 chain 0.0041 0.0701 0.0551
Plasmodium falciparum thioredoxin reductase 0.0146 0.3265 0.3102
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0032 0.0465 0.1425
Echinococcus granulosus tubulin alpha 1C chain 0.0041 0.0701 0.0476
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0641 0.1964
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0039 0.0641 0.1964
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Loa Loa (eye worm) BEN-1 protein 0.0022 0.0235 0.0078
Schistosoma mansoni sulfide quinone reductase 0.0039 0.0641 0.0416
Mycobacterium tuberculosis Probable oxidoreductase 0.0146 0.3265 0.2803
Echinococcus multilocularis tubulin alpha chain 0.0041 0.0701 0.0476
Echinococcus multilocularis tubulin alpha chain 0.0041 0.0701 0.0476
Loa Loa (eye worm) hypothetical protein 0.0039 0.0641 0.0491
Entamoeba histolytica tubulin alpha-1 chain 0.0041 0.0701 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0041 0.0701 0.0476
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0032 0.0465 0.0312
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0039 0.0641 0.0641
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0039 0.0641 0.0416
Trypanosoma brucei alpha tubulin 0.0041 0.0701 0.0701
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0146 0.3265 0.3102
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0146 0.3265 0.3102
Toxoplasma gondii thioredoxin reductase 0.0421 1 1
Leishmania major alpha tubulin 0.0041 0.0701 0.0476
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0146 0.3265 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0146 0.3265 0.3102
Brugia malayi Tubulin beta-1 chain 0.0022 0.0235 0.0235
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0146 0.3265 0.3265

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 60 nM Inhibition of Mycobacterium tuberculosis N-terminal His-6-tagged recombinant CysK1 expressed in Escherichia coli BL21 (DE3) after 20 mins by spectrophotometric analysis ChEMBL. 23879381
Inhibition (binding) = 87.5 % Inhibition of Mycobacterium tuberculosis N-terminal His-6-tagged recombinant CysK1 expressed in Escherichia coli BL21 (DE3) at 500 nM after 20 mins by spectrophotometric analysis ChEMBL. 23879381

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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