Detailed information for compound 1177898

Basic information

Technical information
  • TDR Targets ID: 1177898
  • Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S )-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]- 4-methylpentanoyl]amino]-3-methylpentanoyl]am ino]acetyl]amino]hexanoyl]amino]-3-methylbuta noic acid
  • MW: 615.763 | Formula: C28H53N7O8
  • H donors: 9 H acceptors: 8 LogP: -2.35 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C
  • InChi: 1S/C28H53N7O8/c1-7-17(6)23(35-26(40)20(12-15(2)3)33-24(38)18(30)14-36)27(41)31-13-21(37)32-19(10-8-9-11-29)25(39)34-22(16(4)5)28(42)43/h15-20,22-23,36H,7-14,29-30H2,1-6H3,(H,31,41)(H,32,37)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t17-,18-,19-,20-,22-,23-/m0/s1
  • InChiKey: NTQVODZUQIATFS-WAUHAFJUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoic acid
  • (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid
  • (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butyric acid
  • (2S)-2-[[(2S)-6-amino-2-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0109 0.0023
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0198 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0863 0.0783
Mycobacterium tuberculosis Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase) 0.0023 0.0254 0.0196
Echinococcus granulosus lamin dm0 0.0029 0.0384 0.03
Echinococcus multilocularis GPCR, family 2 0.0015 0.0109 0.0023
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0182 0.0023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.0508
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0198 0.0112
Onchocerca volvulus 0.0047 0.0735 0.0372
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0515 0.0826
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0198 0.009
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0863 0.0863
Toxoplasma gondii ABC1 family protein 0.0036 0.0515 0.8649
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0182 0.0096
Mycobacterium ulcerans lipase LipD 0.0036 0.0515 0.0348
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0124 0.0124
Mycobacterium ulcerans beta-lactamase 0.0036 0.0515 0.0348
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0596 0.1021
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0109 0.0023
Echinococcus granulosus smad 0.0016 0.0124 0.0037
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0254 0.0082
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0458 0.0352
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0515 0.0508
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0109 0.0102
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0182 0.001
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0198 0.0112
Schistosoma mansoni DNA polymerase eta 0.0044 0.0675 0.0675
Mycobacterium tuberculosis Conserved protein 0.0036 0.0515 0.0826
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0182 0.001
Entamoeba histolytica hypothetical protein 0.0035 0.0495 0.8309
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0124 0.0037
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0198 0.2856
Brugia malayi hypothetical protein 0.021 0.3924 0.3857
Mycobacterium leprae FATTY-ACID-CoA LIGASE FADD26 (FATTY-ACID-COA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0254 0.0982
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0384 0.0377
Loa Loa (eye worm) hypothetical protein 0.0048 0.0757 0.075
Brugia malayi hypothetical protein 0.0237 0.4445 0.4384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.3415 0.3358
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD24 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0226 0.0127
Schistosoma mansoni hypothetical protein 0.0033 0.0458 0.0458
Leishmania major hypothetical protein, conserved 0.0036 0.0515 0.6825
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0173 0.2479
Loa Loa (eye worm) hypothetical protein 0.0047 0.0735 0.0728
Giardia lamblia DINP protein human, muc B family 0.0019 0.0182 0.3783
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0377 0.0377
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0173 0.2902
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.3529 0.3472
Onchocerca volvulus 0.0048 0.0755 0.0393
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0117 0.0008
Brugia malayi Pre-SET motif family protein 0.0029 0.0377 0.0271
Schistosoma mansoni inositol monophosphatase 0.004 0.0596 0.0596
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0735 0.0653
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0515 0.0827
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0008 0.0146
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0182 0.0096
Loa Loa (eye worm) beta-lactamase 0.0036 0.0515 0.0508
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.3415 0.3415
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0254 0.0082
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0173 0.0087
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0515 0.0432
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0735 0.0653
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0198 0.0501
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0417 0.6145
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0124 0.0037
Echinococcus multilocularis musashi 0.0029 0.0384 0.03
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0173 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0182 0.2621
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0173 0.1747
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0863 0.0762
Echinococcus multilocularis disco interacting protein 2 0.0023 0.0254 0.0168
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0023 0.0254 0.0254
Entamoeba histolytica hypothetical protein 0.0035 0.0495 0.8309
Echinococcus granulosus bloom syndrome protein 0.002 0.0198 0.0112
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0515 0.0432
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0008 0.0127
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0515 0.0826
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.0508
Loa Loa (eye worm) hypothetical protein 0.002 0.0198 0.0191
Leishmania major DNA polymerase kappa, putative 0.0019 0.0182 0.0189
Mycobacterium ulcerans hypothetical protein 0.0036 0.0515 0.0348
Onchocerca volvulus 0.0036 0.0515 0.0144
Toxoplasma gondii exonuclease III APE 0.0019 0.0173 0.2902
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0515 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0117 0.011
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0596 0.8703
Brugia malayi mbt repeat family protein 0.0047 0.0735 0.0632
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0377 0.6329
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0735 0.0653
Schistosoma mansoni ap endonuclease 0.0019 0.0173 0.0173
Entamoeba histolytica recQ family helicase, putative 0.002 0.0198 0.3324
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0596 0.8818
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0513 0.9934
Schistosoma mansoni hypothetical protein 0.0048 0.0755 0.0755
Echinococcus granulosus dna polymerase eta 0.0044 0.0675 0.0593
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0198 0.009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0757 0.0655
Trichomonas vaginalis set domain proteins, putative 0.023 0.4313 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0173 0.0165
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0182 0.1904
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0254 0.0082
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.442 0.4416
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0515 0.0826
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0377 0.0293
Brugia malayi intermediate filament protein 0.0029 0.0384 0.0278
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0182 0.2621
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD25 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0023 0.0254 0.0196
Entamoeba histolytica hypothetical protein 0.0035 0.0495 0.8309
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0023 0.0254 0.0247
Brugia malayi MH1 domain containing protein 0.0016 0.0124 0.0014
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0198 0.009
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.3415 0.3343
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0198 0.2161
Brugia malayi MH1 domain containing protein 0.0016 0.0124 0.0014
Schistosoma mansoni DNA helicase recq5 0.002 0.0198 0.0198
Echinococcus granulosus lamin 0.0029 0.0384 0.03
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0182 0.1904
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0182 0.0023
Mycobacterium leprae Probable lipase LipE 0.0036 0.0515 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.3766 0.3762
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0254 0.0082
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0515 0.7612
Schistosoma mansoni smad 0.0016 0.0124 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.3415 0.3415
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0515 0.0827
Echinococcus granulosus Smad4 0.0016 0.0124 0.0037
Echinococcus multilocularis Smad4 0.0016 0.0124 0.0037
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0863 0.0783
Entamoeba histolytica recQ family DNA helicase 0.001 0.0008 0.0127
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0596 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0515 0.0515
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD23 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0226 0.0127
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0735 0.0372
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0198 0.0061
Loa Loa (eye worm) hypothetical protein 0.0237 0.4445 0.4441
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0675 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0757 0.075
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0254 0.0082
Brugia malayi hypothetical protein 0.0035 0.0495 0.039
Brugia malayi Disco-interacting protein 2 homolog 0.0023 0.0254 0.0146
Brugia malayi Smad1 0.0016 0.0124 0.0014
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0596 0.8818
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.3415 0.3358
Loa Loa (eye worm) Smad1 0.0016 0.0124 0.0116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.3415 0.3358
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD28 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0023 0.0254 0.0982
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.0508
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0515 0.041
Echinococcus multilocularis muscleblind protein 1 0.0149 0.2723 0.2659
Mycobacterium tuberculosis Conserved protein 0.0036 0.0515 0.0826
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0124 0.0037
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0198 0.0191
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0182 0.0182
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0495 0.0495
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0182 0.0023
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0124 0.0116
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0023 0.0254 0.0196
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0515 0.0827
Echinococcus granulosus GPCR family 2 0.0015 0.0109 0.0023
Brugia malayi MH2 domain containing protein 0.0016 0.0124 0.0014
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0515 0.0826
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.3415 0.3411
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0182 0.0096
Loa Loa (eye worm) hypothetical protein 0.0014 0.0087 0.0079
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0515 0.0348
Schistosoma mansoni hypothetical protein 0.0291 0.5507 0.5507
Mycobacterium ulcerans putative fatty-acid--CoA ligase 0.0023 0.0254 0.0082
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0173 0.0087
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0356 0.0272
Mycobacterium tuberculosis Probable fatty-acid-AMP ligase FadD21 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0023 0.0254 0.0196
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Loa Loa (eye worm) hypothetical protein 0.0149 0.2723 0.2718
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0109 0.0023
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0182 0.0074
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0198 0.3324
Plasmodium vivax SET domain protein, putative 0.0029 0.0377 0.7317
Loa Loa (eye worm) MBCTL1 0.0054 0.0863 0.0856
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.0508
Echinococcus multilocularis smad 0.0016 0.0124 0.0037
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0377 0.0293
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0515 0.0827
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Leishmania major DNA polymerase eta, putative 0.0044 0.0675 1
Schistosoma mansoni smad1 5 8 and 0.0016 0.0124 0.0124
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0596 0.1021
Brugia malayi beta-lactamase 0.0036 0.0515 0.041
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0596 0.0513
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0173 0.0064
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0515 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0863 0.0856
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0863 0.0783
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0198 0.0061
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.0508
Echinococcus granulosus muscleblind protein 0.0149 0.2723 0.2659
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0124 0.0037
Brugia malayi beta-lactamase family protein 0.0036 0.0515 0.041
Brugia malayi beta-lactamase family protein 0.0036 0.0515 0.041
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0182 0.0175
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0515 0.7612
Brugia malayi Inositol-1 0.004 0.0596 0.0492
Echinococcus multilocularis dna polymerase eta 0.0044 0.0675 0.0593
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0596 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Onchocerca volvulus 0.0029 0.0384 0.0008
Echinococcus multilocularis lamin 0.0029 0.0384 0.03
Schistosoma mansoni smad1 5 8 and 0.0016 0.0124 0.0124
Onchocerca volvulus 0.0029 0.0384 0.0008
Loa Loa (eye worm) hypothetical protein 0.0023 0.0254 0.0247
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0377 0.0377
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0377 0.0377
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0675 1
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.4445 0.4396
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0515 0.738
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0377 0.0377
Mycobacterium tuberculosis Conserved protein 0.0036 0.0515 0.0826
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0254 0.0082
Schistosoma mansoni inositol monophosphatase 0.004 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.0029 0.0377 0.037
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.4319 1
Echinococcus multilocularis muscleblind protein 0.0149 0.2723 0.2659
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0198 0.0061
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.3415 0.3415
Echinococcus granulosus intermediate filament protein 0.0029 0.0384 0.03
Echinococcus granulosus disco interacting protein 2 0.0023 0.0254 0.0168
Schistosoma mansoni hypothetical protein 0.0035 0.0495 0.0495
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.442 0.4416
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0198 0.0112
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0596 1
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD29 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0023 0.0254 0.0982
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0735 0.0735
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0109 0.0023
Brugia malayi Pre-SET motif family protein 0.0202 0.3766 0.3697
Loa Loa (eye worm) hypothetical protein 0.0015 0.0109 0.0102
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0023 0.0254 0.0196
Schistosoma mansoni smad1 5 8 and 0.0016 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.0508
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0515 0.0515
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0515 0.0826
Loa Loa (eye worm) hypothetical protein 0.0014 0.0076 0.0069
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0182 0.0182
Leishmania major DNA polymerase eta, putative 0.0031 0.0417 0.4874
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0384 0.0278
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0495 0.0412
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0596 0.1021
Schistosoma mansoni lamin 0.0029 0.0384 0.0384
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0675 0.0571
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0008 0.0008
Schistosoma mansoni lamin 0.0029 0.0384 0.0384
Echinococcus multilocularis lamin dm0 0.0029 0.0384 0.03
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0182 0.2621
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0182 0.1904
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0513 0.0821
Brugia malayi MH2 domain containing protein 0.0016 0.0124 0.0014
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0198 0.3324
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0863 0.0783
Schistosoma mansoni ap endonuclease 0.0019 0.0173 0.0173
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0755 0.0653
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0495 0.0412
Echinococcus granulosus dna polymerase kappa 0.0019 0.0182 0.0096
Mycobacterium leprae PROBABLE FATTY-ACID--CoA LIGASE FADD21 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0254 0.0982
Loa Loa (eye worm) hypothetical protein 0.0029 0.0384 0.0377
Trichomonas vaginalis esterase, putative 0.0036 0.0515 0.0827
Loa Loa (eye worm) inositol-1 0.004 0.0596 0.0589
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0182 0.3062
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0515 0.0826
Loa Loa (eye worm) hypothetical protein 0.0044 0.0675 0.0668
Schistosoma mansoni survival motor neuron protein 0.0048 0.0755 0.0755
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0596 0.8429
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.4445 0.4396
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0198 0.0112
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0515 0.0827
Schistosoma mansoni hypothetical protein 0.0015 0.0109 0.0109
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0182 0.0189
Schistosoma mansoni Smad4 0.0016 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0014 0.0076 0.0069
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.00000000016032
Brugia malayi Muscleblind-like protein 0.0149 0.2723 0.2643
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0515 0.0826
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0182 0.0023
Trypanosoma brucei unspecified product 0.0019 0.0182 0.1904
Loa Loa (eye worm) hypothetical protein 0.0149 0.2723 0.2718
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0377 0.0293
Onchocerca volvulus 0.0036 0.0515 0.0144
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0757 0.0655
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0198 1
Schistosoma mansoni DNA helicase recq1 0.002 0.0198 0.0198
Brugia malayi mbt repeat family protein 0.0047 0.0735 0.0632
Loa Loa (eye worm) hypothetical protein 0.0029 0.0374 0.0367
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0596 0.043
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0173 0.3355
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0023 0.0254 0.0196
Onchocerca volvulus 0.023 0.4313 0.409
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0596 0.0513
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0735 0.0735
Loa Loa (eye worm) RecQ helicase 0.002 0.0198 0.0191
Brugia malayi MH2 domain containing protein 0.0235 0.442 0.4358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.3415 0.3358
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0173 0.2479
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0735 0.0728
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0417 0.7007
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0735 0.0653
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0124 0.0116
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0384 0.0377
Echinococcus multilocularis bloom syndrome protein 0.002 0.0198 0.0112
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD32 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase). Also shown to have acyl-ACP ligase activity. 0.0023 0.0254 0.0196
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.3529 0.3472
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0515 0.0348
Entamoeba histolytica hypothetical protein 0.0035 0.0495 0.8309
Loa Loa (eye worm) hypothetical protein 0.0033 0.0458 0.045
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0182 0.1904
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0182 0.2621
Onchocerca volvulus 0.0036 0.0515 0.0144
Schistosoma mansoni intermediate filament proteins 0.0029 0.0384 0.0384
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0198 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.55 Antagonist activity at human recombinant PAR2 expressed in A549 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization ChEMBL. 19473027
Emax (functional) = 449 % Antagonist activity at human recombinant PAR2 expressed in A549 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization at up to 10 uM ChEMBL. 19473027

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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