Detailed information for compound 539766

Basic information

Technical information
  • TDR Targets ID: 539766
  • Name: (2S)-2-amino-5-[[(1R)-1-[(2R)-2-amino-3,3-dih ydroxy-propyl]sulfanylcarbothioyl-2-(carboxym ethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoi c acid
  • MW: 426.466 | Formula: C13H22N4O8S2
  • H donors: 8 H acceptors: 8 LogP: -7.92 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@@H](C(=S)SC[C@@H](C(O)O)N)C(=O)NCC(=O)O)CC[C@@H](C(=O)O)N
  • InChi: 1S/C13H22N4O8S2/c14-5(11(22)23)1-2-7(18)17-9(10(21)16-3-8(19)20)13(26)27-4-6(15)12(24)25/h5-6,9,12,24-25H,1-4,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,9+/m0/s1
  • InChiKey: GNTARDAHCXNJEX-ATVXKPNKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-5-[[(1R)-1-[[[(2R)-2-amino-3,3-dihydroxypropyl]thio]-thioxomethyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2S)-2-azanyl-5-[[(2R)-1-[(2R)-2-azanyl-3,3-dihydroxy-propyl]sulfanyl-3-(carboxymethylamino)-3-oxo-1-sulfanylidene-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2S)-2-amino-5-[[(1R)-1-[[(2R)-2-amino-3,3-dihydroxy-propyl]thio]carbothioyl-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2S)-2-amino-5-[[(2R)-1-[(2R)-2-amino-3,3-dihydroxypropyl]sulfanyl-3-(carboxymethylamino)-3-oxo-1-sulfanylidenepropan-2-yl]amino]-5-oxopentanoic acid
  • cysteine-glutathione disulfide
  • (2S)-2-amino-5-[[(2R)-1-[(2R)-2-amino-3,3-dihydroxy-propyl]sulfanyl-3-(carboxymethylamino)-3-oxo-1-sulfanylidene-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 105355-21-3
  • 13081-14-6
  • 28234-57-3
  • 78111-07-6
  • 97510-42-4
  • Cysteine-glutathione mixed disulfide
  • Glycine, L-gamma-glutamyl-L-cysteinyl-, (2-1')-disulfide with L-cysteine
  • CYSSG

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 multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0094 0.0094
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1933 0.1933
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0027 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0233 0.5223 1
Brugia malayi MH1 domain containing protein 0.0008 0.0091 0.0091
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0349 0.6394
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0548 0.0548
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0028 0.0545 0.1044
Echinococcus multilocularis muscleblind protein 1 0.0442 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0349 0.0667
Entamoeba histolytica hypothetical protein 0.0028 0.0545 0.1044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0056 0.0107
Echinococcus granulosus cpg binding protein 0.0029 0.0583 0.0583
Schistosoma mansoni cpg binding protein 0.0029 0.0583 0.0651
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Giardia lamblia Hypothetical protein 0.0028 0.0545 1
Entamoeba histolytica eukaryotic initiation factor 4E, putative 0.0028 0.0545 0.1044
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0028 0.0545 0.1044
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0233 0.5223 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0028 0.0545 0.1044
Toxoplasma gondii hypothetical protein 0.0028 0.0545 0.1044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0586 0.0654
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0233 0.5223 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0028 0.0545 0.1044
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.2546 0.2546
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Brugia malayi MH2 domain containing protein 0.0115 0.2546 0.2546
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0545 0.1044
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0056 0.0107
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0349 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0586 0.0586
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1933 0.1933
Brugia malayi translation initiation factor 4E 0.0233 0.5223 0.5223
Loa Loa (eye worm) hypothetical protein 0.0004 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Leishmania major hypothetical protein, conserved 0.0028 0.0545 0.1044
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0349 0.0667
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0091 0.0091
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0586 0.0654
Brugia malayi MH2 domain containing protein 0.0008 0.0091 0.0091
Brugia malayi MH1 domain containing protein 0.0008 0.0091 0.0091
Echinococcus multilocularis dnaJ subfamily B 0.0397 0.8959 0.8959
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.4529 0.4529
Plasmodium vivax translation initiation factor 4E, putative 0.0028 0.0545 0.9302
Giardia lamblia hypothetical protein 0.0028 0.0545 1
Trichomonas vaginalis hypothetical protein 0.0028 0.0545 0.1044
Echinococcus multilocularis smad 0.0008 0.0091 0.0091
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0233 0.5223 0.5223
Giardia lamblia Hypothetical protein 0.0028 0.0545 1
Schistosoma mansoni cpg binding protein 0.0028 0.0547 0.0611
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.013 0.013
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0094 0.0094
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0233 0.5223 0.583
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0091 0.0102
Echinococcus granulosus geminin 0.0328 0.7385 0.7385
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0233 0.5223 1
Onchocerca volvulus 0.003 0.0586 0.1135
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0133 0.0133
Schistosoma mansoni smad1 5 8 and 0.0008 0.0091 0.0102
Echinococcus multilocularis muscleblind protein 0.0442 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1933 0.2157
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0349 1
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0028 0.0545 0.0545
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1284 0.1433
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0028 0.0545 0.1044
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0091 0.0091
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0545 0.1044
Brugia malayi Smad1 0.0008 0.0091 0.0091
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Onchocerca volvulus 0.0028 0.0547 0.1059
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0056 0.0107
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0233 0.5223 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0056 0.0107
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0233 0.5223 1
Brugia malayi Pre-SET motif family protein 0.003 0.0586 0.0586
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0349 0.5947
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0028 0.0545 0.0545
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0349 0.5
Schistosoma mansoni Smad4 0.0008 0.0091 0.0102
Schistosoma mansoni smad1 5 8 and 0.0008 0.0091 0.0102
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0056 0.0107
Loa Loa (eye worm) histone methyltransferase 0.001 0.0133 0.0133
Trichomonas vaginalis set domain proteins, putative 0.023 0.5165 0.9889
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0349 0.0667
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1933 0.1933
Schistosoma mansoni smad1 5 8 and 0.0008 0.0091 0.0102
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0028 0.0545 0.1055
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.2546 0.2546
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0133 0.0133
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Onchocerca volvulus 0.023 0.5165 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Leishmania major eukaryotic translation initiation factor-like protein 0.0233 0.5223 1
Schistosoma mansoni ap endonuclease 0.0019 0.0349 0.0389
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0028 0.0545 0.0545
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1933 0.2157
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0586 0.1122
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0028 0.0545 0.1044
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0233 0.5223 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.1933 0.1933
Loa Loa (eye worm) nuclear factor I 0.0004 0.0011 0.0011
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0028 0.0545 0.1044
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0233 0.5223 1
Schistosoma mansoni ap endonuclease 0.0019 0.0349 0.0389
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0233 0.5223 0.5223
Leishmania major eukaryotic translation initiation factor-like 0.0233 0.5223 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1933 0.1933
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0028 0.0545 0.1044
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0028 0.0545 0.1044
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0028 0.0545 0.1044
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0349 0.5
Plasmodium vivax SET domain protein, putative 0.003 0.0586 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0545 0.9302
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0349 0.0349
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0056 0.0107
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.003 0.0586 0.0586
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0586 0.0586
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0349 0.0667
Brugia malayi CXXC zinc finger family protein 0.0028 0.0547 0.0547
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0028 0.0545 0.1044
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0094 0.0105
Leishmania major hypothetical protein, conserved 0.0028 0.0545 0.1044
Schistosoma mansoni cpg binding protein 0.0029 0.0583 0.0651
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0028 0.0545 0.1044
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0091 0.0091
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0349 0.6394
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0349 0.0349
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0586 0.0586
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0349 0.0667
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Echinococcus granulosus smad 0.0008 0.0091 0.0091
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0056 0.0107
Loa Loa (eye worm) translation initiation factor 4E 0.0233 0.5223 0.5223
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0094 0.0094
Brugia malayi MH1 domain containing protein 0.0004 0.0011 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0586 0.0654
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0028 0.0545 1
Schistosoma mansoni hypothetical protein 0.0397 0.8959 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1933 0.2157
Echinococcus granulosus muscleblind protein 0.0442 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0545 0.1044
Trichomonas vaginalis helicase, putative 0.0006 0.0056 0.0107
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0547 0.0547
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0028 0.0545 0.1044
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0349 0.0667
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Echinococcus multilocularis geminin 0.0328 0.7385 0.7385
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0349 0.0349
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0028 0.0545 0.1044
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0028 0.0545 0.0545
Giardia lamblia Translation elongation factor 0.0028 0.0545 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0028 0.0545 0.1044
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0028 0.0545 0.1044
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0094 0.0094
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0091 0.0091
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0349 0.0667
Loa Loa (eye worm) Smad1 0.0008 0.0091 0.0091
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0028 0.0545 0.1044
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0091 0.0091
Leishmania major eukaryotic translation initiation factor, putative 0.0028 0.0545 0.1044
Echinococcus granulosus Smad4 0.0008 0.0091 0.0091
Entamoeba histolytica translation initiation factor 4e, putative 0.0028 0.0545 0.1044
Brugia malayi MH1 domain containing protein 0.0004 0.0011 0.0011
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0233 0.5223 1
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0233 0.5223 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0349 0.0667
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.114 0.2182
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0233 0.5223 1
Echinococcus granulosus dnaJ subfamily B 0.0397 0.8959 0.8959
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0028 0.0545 0.1044
Echinococcus multilocularis Smad4 0.0008 0.0091 0.0091
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0028 0.0545 0.1044
Brugia malayi MH2 domain containing protein 0.0008 0.0091 0.0091
Echinococcus multilocularis cpg binding protein 0.0029 0.0583 0.0583
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0028 0.0545 0.1044
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Brugia malayi Pre-SET motif family protein 0.0202 0.4529 0.4529
Schistosoma mansoni hypothetical protein 0.0328 0.7385 0.8243
Schistosoma mansoni smad 0.0008 0.0091 0.0102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0586 0.0654
Entamoeba histolytica hypothetical protein 0.0028 0.0545 0.1044
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.1933 0.1933
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0028 0.0545 0.0545
Schistosoma mansoni hypothetical protein 0.0328 0.7385 0.8243
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0056 0.0107
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0056 0.0107

Activities

No activities found for this compound.

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

No literature references available for this target.

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