TDR Targets

Basic information

Technical information

TDR Targets ID: 582546
Name: (2S)-2-amino-3-[2-[(2R)-2-amino-3-hydroxy-3-o xo-propyl]sulfanyl-1H-imidazol-5-yl]propanoic acid
MW: 274.297 | Formula: C9H14N4O4S
H donors: 5 H acceptors: 5 LogP: -5.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N[C@H](C(=O)O)CSc1ncc([nH]1)C[C@@H](C(=O)O)N
InChi: 1S/C9H14N4O4S/c10-5(7(14)15)1-4-2-12-9(13-4)18-3-6(11)8(16)17/h2,5-6H,1,3,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1
InChiKey: FCRXZCXRHDQWHP-WDSKDSINSA-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

(2S)-2-amino-3-[2-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-1H-imidazol-5-yl]propanoic acid
(2S)-2-azanyl-3-[2-[(2R)-2-azanyl-3-hydroxy-3-oxo-propyl]sulfanyl-1H-imidazol-5-yl]propanoic acid
(2S)-2-amino-3-[2-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-1H-imidazol-5-yl]propionic acid
(2S)-2-amino-3-[2-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-1H-imidazol-5-yl]propanoic acid
S-2-histidylcysteine
(2S)-2-amino-3-[2-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-3H-imidazol-4-yl]propanoic acid
(2S)-2-amino-3-[2-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-3H-imidazol-4-yl]propanoic acid
(2S)-2-amino-3-[2-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-3H-imidazol-4-yl]propanoic acid
(2S)-2-amino-3-[2-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-3H-imidazol-4-yl]propionic acid
77504-36-0
S(beta)-2-Histidylcysteine
L-Histidine, 2-((2-amino-2-carboxyethyl)thio)-, (R)-

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
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Onchocerca volvulus		0.0133	0.016	0.5
Echinococcus granulosus	voltage dependent calcium channel subunit	0.3262	0.4534	0.4534
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Brugia malayi	Zona pellucida-like domain containing protein	0.0133	0.016	0.0803
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0034	0.2113
Schistosoma mansoni	hypothetical protein	0.0166	0.0206	0.0474
Entamoeba histolytica	hypothetical protein	0.0133	0.016	1
Loa Loa (eye worm)	CUTiclin-Like family member	0.0133	0.016	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Schistosoma mansoni	hypothetical protein	0.0133	0.016	0.0368
Plasmodium vivax	hypothetical protein, conserved	0.0133	0.016	1
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0133	0.016	1
Entamoeba histolytica	hypothetical protein, conserved	0.0133	0.016	1
Loa Loa (eye worm)	CUTiclin family member	0.0133	0.016	0.0803
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0059	1
Schistosoma mansoni	hypothetical protein	0.1685	0.2329	0.5357
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0146	0.0178	0.0178
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0034	0.2113
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0034	0.2113
Plasmodium vivax	von Willebrand factor A domain-related protein, putative	0.0133	0.016	1
Onchocerca volvulus		0.0133	0.016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0059	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0029	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0029	0.18
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0	0.5
Brugia malayi	Zona pellucida-like domain containing protein	0.0133	0.016	0.0803
Treponema pallidum	hypothetical protein	0.0133	0.016	1
Plasmodium vivax	thrombospondin-related anonymous protein	0.0133	0.016	1
Schistosoma mansoni	hypothetical protein	0.0166	0.0206	0.0474
Toxoplasma gondii	von Willebrand factor type A domain-containing protein	0.0133	0.016	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0059	0.3662
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0146	0.0178	0.0409
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0034	0.2113
Brugia malayi	Cache domain containing protein	0.1444	0.1992	1
Brugia malayi	von Willebrand Factor	0.0133	0.016	0.0803
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0059	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0029	0.18
Onchocerca volvulus		0.0133	0.016	0.5
Treponema pallidum	76K protein	0.0133	0.016	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0059	0.0059
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Echinococcus granulosus	geminin	0.0166	0.0206	0.0206
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0059	1
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.1577	0.2179	0.5011
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0059	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Onchocerca volvulus		0.0133	0.016	0.5
Onchocerca volvulus		0.0133	0.016	0.5
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0034	0.2113
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.3129	0.4348	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Schistosoma mansoni	hypothetical protein	0.0133	0.016	0.0368
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0	0.5
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0133	0.016	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0133	0.016	0.016
Schistosoma mansoni	serine-rich repeat protein	0.1685	0.2329	0.5357
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.3262	0.4534	0.4534
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0059	0.0135
Onchocerca volvulus		0.0133	0.016	0.5
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0133	0.016	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.081	0.1107	0.1107
Echinococcus multilocularis	geminin	0.0166	0.0206	0.0206
Echinococcus granulosus	collagen alpha 1VII chain	0.0133	0.016	0.016
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0133	0.016	1
Toxoplasma gondii	microneme protein MIC2	0.0133	0.016	1
Plasmodium vivax	dynein-related AAA-type ATPase, putative	0.0133	0.016	1
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0133	0.016	0.0803
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.7172	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0059	0.0059
Brugia malayi	hypothetical protein	0.0133	0.016	0.0803
Onchocerca volvulus		0.0133	0.016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Loa Loa (eye worm)	hypothetical protein	0.1444	0.1992	1
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0133	0.016	0.0803
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0059	1
Loa Loa (eye worm)	acetyltransferase	0.0146	0.0178	0.0893
Entamoeba histolytica	hypothetical protein, conserved	0.0133	0.016	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0133	0.016	0.0803
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0	0.5
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0133	0.016	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.016	0.0803
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.0172	0.0172
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0	0.5
Brugia malayi	acetyltransferase, GNAT family protein	0.0146	0.0178	0.0893
Brugia malayi	von Willebrand factor type A domain containing protein	0.0133	0.016	0.0803
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0133	0.016	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0133	0.016	0.0803

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: 196043

Bibliographic References

No literature references available for this target.

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Detailed information for compound 582546