Detailed information for compound 1123651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.37 | Formula: C16H19N2O7PS
  • H donors: 4 H acceptors: 6 LogP: 0.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c2c3c1cccc3c(cc2)S(=O)(=O)NCCCCCOP(=O)(O)O
  • InChi: 1S/C16H19N2O7PS/c19-16-12-6-4-5-11-14(8-7-13(18-16)15(11)12)27(23,24)17-9-2-1-3-10-25-26(20,21)22/h4-8,17H,1-3,9-10H2,(H,18,19)(H2,20,21,22)
  • InChiKey: DXQWSGQAGNHADB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (lumazine synthase) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi 6,7-dimethyl-8-ribityllumazine synthase Get druggable targets OG5_128902 All targets in OG5_128902
Mycobacterium tuberculosis Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (lumazine synthase) Get druggable targets OG5_128902 All targets in OG5_128902
Mycobacterium leprae Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (Lumazine synthase). Get druggable targets OG5_128902 All targets in OG5_128902
Mycobacterium ulcerans 6,7-dimethyl-8-ribityllumazine synthase Get druggable targets OG5_128902 All targets in OG5_128902
Chlamydia trachomatis 7-dimethyl-8-ribityllumazine synthase Get druggable targets OG5_128902 All targets in OG5_128902
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0794 0.0883
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1906 0.2119
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0656 0.0625
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.036 0.04
Wolbachia endosymbiont of Brugia malayi 6,7-dimethyl-8-ribityllumazine synthase 0.0455 0.8831 1
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.1385 0.154
Trypanosoma brucei cytochrome P450, putative 0.0017 0.0123 0.0026
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.2712 0.2936
Mycobacterium ulcerans hypothetical protein 0.0164 0.3042 0.3352
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0463 0.8997 1
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.1385 0.1251
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0359 0.0233
Loa Loa (eye worm) hypothetical protein 0.0049 0.0767 0.0852
Echinococcus granulosus zinc finger protein 0.0026 0.0295 0.0327
Schistosoma mansoni hypothetical protein 0.0312 0.5988 0.6656
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0463 0.8997 1
Loa Loa (eye worm) hypothetical protein 0.0463 0.8997 1
Onchocerca volvulus 0.0029 0.036 0.2596
Schistosoma mansoni intermediate filament proteins 0.0029 0.036 0.04
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0149 0.0165
Schistosoma mansoni cpg binding protein 0.0031 0.0397 0.0441
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.1385 0.154
Brugia malayi PHD-finger family protein 0.0031 0.0404 0.0449
Schistosoma mansoni hypothetical protein 0.0174 0.3254 0.3617
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.1385 0.154
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1906 0.1982
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0846 0.0839
Echinococcus granulosus intermediate filament protein 0.0029 0.036 0.04
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0203 0.3832 0.426
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1906 0.2119
Schistosoma mansoni ap endonuclease 0.0018 0.0153 0.017
Brugia malayi Cytochrome P450 family protein 0.0017 0.0123 0.0137
Mycobacterium leprae Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (Lumazine synthase). 0.0455 0.8831 0.9783
Brugia malayi beta-lactamase family protein 0.008 0.1385 0.154
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0203 0.3832 0.426
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 0.5968 0.6595
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0397 0.0441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.177 0.1967
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0153 0.017
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0123 0.0026
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.1385 0.154
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0934 0.1038
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0794 0.0883
Echinococcus multilocularis aspartyl aminopeptidase 0.0463 0.8997 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.177 0.1967
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.177 0.1967
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1906 0.1982
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1906 0.2119
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0463 0.8997 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0153 0.017
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1906 0.178
Loa Loa (eye worm) hypothetical protein 0.0073 0.1234 0.1371
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.177 0.1967
Mycobacterium tuberculosis Conserved protein 0.008 0.1385 0.1251
Echinococcus granulosus cpg binding protein 0.0034 0.0471 0.0523
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0463 0.8997 1
Onchocerca volvulus 0.008 0.1385 1
Brugia malayi mbt repeat family protein 0.0051 0.0794 0.0883
Onchocerca volvulus 0.008 0.1385 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0153 0.006
Trichomonas vaginalis hypothetical protein 0.0217 0.4103 0.4467
Schistosoma mansoni hypothetical protein 0.0021 0.0209 0.0232
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0794 0.0883
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1906 0.2048
Echinococcus granulosus aspartyl aminopeptidase 0.0463 0.8997 1
Echinococcus multilocularis zinc finger protein 0.0026 0.0295 0.0327
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0463 0.8997 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1906 0.2031
Leishmania major mitochondrial DNA polymerase beta 0.0311 0.5968 0.6595
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.2801 0.3114
Loa Loa (eye worm) hypothetical protein 0.0013 0.0053 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0149 0.0165
Schistosoma mansoni lamin 0.0029 0.036 0.04
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0463 0.8997 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0934 0.1038
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0359 0.1672
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0311 0.5968 0.6595
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.1116 0.124
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1385 0.1393
Onchocerca volvulus 0.008 0.1385 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.177 0.1967
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.1385 0.1449
Brugia malayi intermediate filament protein 0.0029 0.036 0.04
Loa Loa (eye worm) hypothetical protein 0.0463 0.8997 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1385 0.154
Loa Loa (eye worm) hypothetical protein 0.0039 0.0572 0.0635
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0359 0.1672
Toxoplasma gondii hypothetical protein 0.005 0.0783 0.5115
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0586 0.0489
Loa Loa (eye worm) intermediate filament protein 0.0029 0.036 0.04
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.177 0.1967
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0359 0.0233
Toxoplasma gondii ABC1 family protein 0.008 0.1385 1
Echinococcus multilocularis lamin dm0 0.0029 0.036 0.04
Brugia malayi 6-phosphofructokinase 0.0107 0.1906 0.2119
Loa Loa (eye worm) hypothetical protein 0.008 0.1385 0.154
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0221 0.0245
Loa Loa (eye worm) hypothetical protein 0.0029 0.036 0.04
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0153 0.0035
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0463 0.8997 1
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.1385 0.1251
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0311 0.5968 0.6595
Brugia malayi Cytochrome P450 family protein 0.0017 0.0123 0.0137
Chlamydia trachomatis 7-dimethyl-8-ribityllumazine synthase 0.0455 0.8831 1
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1906 0.2031
Brugia malayi Bromodomain containing protein 0.0083 0.1429 0.1588
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.1385 0.1393
Echinococcus multilocularis musashi 0.0029 0.036 0.04
Echinococcus multilocularis lamin 0.0029 0.036 0.04
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0463 0.8997 0.8981
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0794 0.0883
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.2712 0.2936
Echinococcus multilocularis cpg binding protein 0.0034 0.0471 0.0523
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0707 0.0626
Loa Loa (eye worm) hypothetical protein 0.03 0.5757 0.6399
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0359 0.1175
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1906 0.1982
Echinococcus granulosus lamin dm0 0.0029 0.036 0.04
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0707 0.0626
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0359 0.0233
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0794 0.0883
Onchocerca volvulus 0.0029 0.036 0.2596
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1906 1
Mycobacterium tuberculosis Probable riboflavin synthase beta chain RibH (6,7-dimethyl-8-ribityllumazine synthase) (DMRL synthase) (lumazine synthase) 0.0455 0.8831 0.8813
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0359 0.0233
Echinococcus granulosus lamin 0.0029 0.036 0.04
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0283 0.0314
Mycobacterium ulcerans hypothetical protein 0.008 0.1385 0.1449
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.1385 0.154
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0707 0.0626
Brugia malayi beta-lactamase 0.008 0.1385 0.154
Brugia malayi Aspartyl aminopeptidase 0.0463 0.8997 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0093 0.0104
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1906 0.2119
Trichomonas vaginalis conserved hypothetical protein 0.0217 0.4103 0.4467
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0463 0.8997 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.177 0.1967
Loa Loa (eye worm) hypothetical protein 0.008 0.1385 0.154
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0012 0.0013
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1906 0.2119
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0283 0.0314
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0359 0.0233
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0463 0.8997 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0063 0.007
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.2801 0.3114
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0463 0.8997 1
Mycobacterium ulcerans lipase LipD 0.008 0.1385 0.1449
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0794 0.0883
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0934 0.1038
Brugia malayi beta-lactamase family protein 0.008 0.1385 0.154
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.1385 0.154
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0586 0.0489
Loa Loa (eye worm) hypothetical protein 0.0014 0.0063 0.007
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0063 0.007
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0463 0.8997 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1385 0.154
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0209 0.0232
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0359 0.0233
Brugia malayi mbt repeat family protein 0.0051 0.0794 0.0883
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0153 0.017
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0359 0.0233
Echinococcus multilocularis geminin 0.0174 0.3254 0.3617
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0149 0.0165
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0934 0.1038
Trypanosoma brucei hypothetical protein, conserved 0.008 0.1385 0.1445
Brugia malayi phosphofructokinase 0.0107 0.1906 0.2119
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0123 0.0137
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1906 0.1982
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0463 0.8997 1
Echinococcus multilocularis muscleblind protein 1 0.03 0.5757 0.6399
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0135 0.0151
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0656 0.0625
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0123 0.0137
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1906 0.1982
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0934 0.1038
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0794 0.5735
Schistosoma mansoni cpg binding protein 0.0034 0.0471 0.0523
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0656 0.0625
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1385 0.1393
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0359 0.0233
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1906 0.2119
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0217 0.4103 0.4467
Echinococcus multilocularis muscleblind protein 0.03 0.5757 0.6399
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0656 0.0625
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.1385 0.1251
Loa Loa (eye worm) hypothetical protein 0.0018 0.0149 0.0165
Loa Loa (eye worm) aspartyl aminopeptidase 0.0463 0.8997 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0794 0.0883
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0463 0.8997 1
Mycobacterium tuberculosis Conserved protein 0.008 0.1385 0.1251
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0359 0.0233
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.3042 0.2934
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.1064 0.7393
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1906 0.1982
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0359 0.4757
Trichomonas vaginalis conserved hypothetical protein 0.0217 0.4103 0.4467
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0135 0.0151
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.1385 0.1393
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0153 0.006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0149 0.0165
Brugia malayi Muscleblind-like protein 0.03 0.5757 0.6399
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0794 0.0883
Loa Loa (eye worm) hypothetical protein 0.0046 0.0693 0.077
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0359 0.1672
Brugia malayi CXXC zinc finger family protein 0.0031 0.0397 0.0441
Onchocerca volvulus 0.0051 0.0794 0.5735
Plasmodium vivax hypothetical protein, conserved 0.008 0.1385 0.1393
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0153 0.006
Schistosoma mansoni zinc finger protein 0.0016 0.01 0.0111
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0153 0.006
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0135 0.0151
Mycobacterium tuberculosis Conserved protein 0.008 0.1385 0.1251
Loa Loa (eye worm) beta-lactamase 0.008 0.1385 0.154
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.1116 0.124
Loa Loa (eye worm) hypothetical protein 0.03 0.5757 0.6399
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1906 0.2031
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0934 0.1038
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.2712 0.2936
Loa Loa (eye worm) hypothetical protein 0.0028 0.0349 0.0388
Loa Loa (eye worm) hypothetical protein 0.008 0.1385 0.154
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0522 0.058
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.1385 0.1251
Onchocerca volvulus 0.0031 0.0397 0.2865
Echinococcus granulosus geminin 0.0174 0.3254 0.3617
Mycobacterium ulcerans beta-lactamase 0.008 0.1385 0.1449
Schistosoma mansoni zinc finger protein 0.0026 0.0295 0.0327
Schistosoma mansoni lamin 0.0029 0.036 0.04
Trichomonas vaginalis conserved hypothetical protein 0.0217 0.4103 0.4467
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1906 0.1982
Schistosoma mansoni ap endonuclease 0.0018 0.0153 0.017
Echinococcus granulosus muscleblind protein 0.03 0.5757 0.6399
Leishmania major cytochrome p450-like protein 0.0017 0.0123 0.0026
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0463 0.8997 1
Mycobacterium tuberculosis Probable hydrolase 0.008 0.1385 0.1251
Loa Loa (eye worm) hypothetical protein 0.0013 0.0053 0.0058
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0123 0.0026
Schistosoma mansoni hypothetical protein 0.0174 0.3254 0.3617
Loa Loa (eye worm) acetyltransferase 0.0152 0.2801 0.3114
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.1385 0.1251
Schistosoma mansoni bromodomain containing protein 0.007 0.1189 0.1322
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.1385 0.1445
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.177 0.1967
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.177 0.1967
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1906 0.0685
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0707 0.4497
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0359 0.0233
Mycobacterium ulcerans 6,7-dimethyl-8-ribityllumazine synthase 0.0455 0.8831 1
Schistosoma mansoni cpg binding protein 0.0034 0.0471 0.0523
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.1385 0.1393
Entamoeba histolytica aminopeptidase, putative 0.0463 0.8997 1
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1906 0.2119
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.1385 0.1449
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.2801 0.3114
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.1385 0.1445
Loa Loa (eye worm) MBCTL1 0.0058 0.0934 0.1038
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0135 0.0151
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0359 0.0233
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.267 0.2967
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.036 0.04
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0217 0.4103 0.4467
Loa Loa (eye worm) hypothetical protein 0.0051 0.0794 0.0883
Loa Loa (eye worm) hypothetical protein 0.008 0.1385 0.154
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0707 0.4497
Leishmania major hypothetical protein, conserved 0.008 0.1385 0.1445
Loa Loa (eye worm) hypothetical protein 0.0058 0.0934 0.1038
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0707 0.0786
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0093 0.0104
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0217 0.4103 0.4467
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0522 0.058
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0283 0.0314
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0123 0.0137
Brugia malayi 6-phosphofructokinase 0.0107 0.1906 0.2119
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0359 0.0233
Brugia malayi Bromodomain containing protein 0.0043 0.0643 0.0715
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.1385 0.1251
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0586 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0153 0.017
Schistosoma mansoni hypothetical protein 0.0016 0.01 0.0111
Trichomonas vaginalis esterase, putative 0.008 0.1385 0.1393
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1081 0.1202

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Uncompetitive inhibition of Mycobacterium tuberculosis recombinant lumazine synthase ChEMBL. 20430628
Kcat (binding) = 0.45 /min Activity at Mycobacterium tuberculosis recombinant lumazine synthase after 30 mins by fluorescence assay ChEMBL. 20430628
Ki (binding) = 19 uM Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay ChEMBL. 20430628
Ki (binding) = 563 uM Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assay ChEMBL. 20430628

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.