TDR Targets

Basic information

Technical information

TDR Targets ID: 557578
Name: (2R)-2-amino-3-benzyloxycarbonylsulfanyl-prop anoic acid
MW: 255.29 | Formula: C11H13NO4S
H donors: 2 H acceptors: 3 LogP: -1.04 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N[C@H](C(=O)O)CSC(=O)OCc1ccccc1
InChi: 1S/C11H13NO4S/c12-9(10(13)14)7-17-11(15)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1
InChiKey: IAZGSEXFFGHKDF-VIFPVBQESA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

(2R)-2-amino-3-(benzyloxycarbonylthio)propanoic acid
(2R)-2-azanyl-3-phenylmethoxycarbonylsulfanyl-propanoic acid
(2R)-2-amino-3-(carbobenzoxythio)propionic acid
(2R)-2-amino-3-phenylmethoxycarbonylsulfanylpropanoic acid
poly-S-carbobenzoxycysteine
(2R)-2-amino-3-(phenylmethoxycarbonylsulfanyl)propanoic acid
(2R)-2-amino-3-[[oxo-(phenylmethoxy)methyl]thio]propanoic acid
(2R)-2-amino-3-(benzyloxycarbonylthio)propionic acid
29663-62-5
L-Cysteine, phenylmethyl hydrogen carbonate (ester), homopolymer
Poly-S-carbobenzoxy-L-cysteine

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0188	0.1558	0.1558
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.0303	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0188	0.1558	0.1555
Echinococcus multilocularis	geminin	0.0335	0.2974	0.2972
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0005	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0188	0.1558	1
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0027	0.0003	0.0003
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0081	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0063	0.0063
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0033	0.0065	0.0062
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0033	0.0065	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0335	0.2974	0.2972
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0035	0.0081	0.0077
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0892	0.0892
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0188	0.1558	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0027	0.0003	0.0003
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Echinococcus multilocularis	lamin	0.0027	0.0005	0.0001
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.062	0.5735	1
Brugia malayi	hypothetical protein	0.0035	0.0081	0.0077
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Entamoeba histolytica	hypothetical protein	0.0035	0.0081	0.0497
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1062	1	1
Onchocerca volvulus		0.0027	0.0005	0.0008
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1062	1	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0892	0.5714
Brugia malayi	hypothetical protein	0.0119	0.0892	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0892	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Entamoeba histolytica	hypothetical protein	0.0035	0.0081	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus granulosus	lamin dm0	0.0027	0.0005	0.0001
Entamoeba histolytica	hypothetical protein	0.0035	0.0081	0.0497
Echinococcus multilocularis	ectonucleotide	0.0028	0.0015	0.0011
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0188	0.1558	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Onchocerca volvulus		0.0188	0.1558	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0211	0.0211
Brugia malayi	intermediate filament protein	0.0027	0.0005	0.0001
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0027	0.0003	0.0003
Onchocerca volvulus		0.0033	0.0065	0.0399
Schistosoma mansoni	lamin	0.0027	0.0005	0.0001
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0211	0.0207
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0005	0.0005
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0005	0.0005
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.0303	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0005	0.0001
Onchocerca volvulus		0.0072	0.0439	0.2798
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1062	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.0303	0.1926
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0081	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Onchocerca volvulus		0.0027	0.0005	0.0008
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0211	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0033	0.0065	0.0062
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1062	1	1
Schistosoma mansoni	hypothetical protein	0.0335	0.2974	0.2972
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0188	0.1558	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0439	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus granulosus	intermediate filament protein	0.0027	0.0005	0.0001
Echinococcus granulosus	lamin	0.0027	0.0005	0.0001
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0033	0.0065	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0892	0.5714
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0188	0.1558	1
Onchocerca volvulus		0.0033	0.0065	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0211	0.0211
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0188	0.1558	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0005	0.0005
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Echinococcus granulosus	ectonucleotide	0.0028	0.0015	0.0011
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0188	0.1558	1
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0072	0.0439	0.0439
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Echinococcus multilocularis	musashi	0.0027	0.0005	0.0001
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0005	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0033	0.0063	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Echinococcus granulosus	geminin	0.0335	0.2974	0.2972
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0058	0.0303	0.1926
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0063	0.0059
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0027	0.0003	0.0003
Mycobacterium tuberculosis	Arylamine N-acetyltransferase Nat (arylamine acetylase)	0.062	0.5735	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0033	0.0065	0.0062
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0188	0.1558	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0081	0.0497
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.0303	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0015	0.0015
Leishmania major	hypothetical protein, conserved	0.0058	0.0303	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0081	0.0077
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0027	0.0003	0.0003
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0072	0.0439	0.0435
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0028	0.0015	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0003	0.0003
Schistosoma mansoni	lamin	0.0027	0.0005	0.0001
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0188	0.1558	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0065	0.0062
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0028	0.0015	0.0011

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

Search by CAS
PubChem: 193658

Bibliographic References

No literature references available for this target.

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Detailed information for compound 557578