Detailed information for compound 157032

Basic information

Technical information
  • TDR Targets ID: 157032
  • Name: 2-amino-3-[(phosphonomethyl)sulfanyl]propanoi c acid
  • MW: 215.165 | Formula: C4H10NO5PS
  • H donors: 4 H acceptors: 5 LogP: -4.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(CSCP(=O)(O)O)N
  • InChi: 1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
  • InChiKey: IIALWEPLPCANHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • S-Methyl Phosphocysteine
  • 2-amino-3-(phosphonomethylsulfanyl)propanoic acid
  • 2-amino-3-(phosphonomethylthio)propanoic acid
  • 2-azanyl-3-(phosphonomethylsulfanyl)propanoic acid
  • 2-amino-3-(phosphonomethylthio)propionic acid
  • 2-amino-3-((phosphonomethyl)thio)propionic 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
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0134 0.0327 0.3704
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0134 0.0327 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0144 0.0359 0.0346
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Toxoplasma gondii ion channel protein 0.0134 0.0327 1
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Echinococcus multilocularis potassium channel subfamily K 8 0.0134 0.0327 0.0315
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Echinococcus granulosus twik family of potassium channels 0.0134 0.0327 0.0315
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.0327 1
Trypanosoma cruzi ion transport protein, putative 0.0134 0.0327 1
Mycobacterium ulcerans transmembrane cation transporter 0.0134 0.0327 1
Trypanosoma cruzi ion transport protein, putative 0.0134 0.0327 1
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Schistosoma mansoni neprilysin-2 (M13 family) 0.0046 0.0046 0.0033
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0049 0.0054 0.0041
Loa Loa (eye worm) hypothetical protein 0.1239 0.3862 0.3862
Trypanosoma brucei calcium-activated potassium channel, putative 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni calcium-activated potassium channel 0.3158 1 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0092 0.0191 0.2056
Schistosoma mansoni hypothetical protein 0.3158 1 1
Loa Loa (eye worm) TWK-7 protein 0.0134 0.0327 0.0327
Echinococcus granulosus voltage dependent calcium channel subunit 0.1472 0.4605 0.4599
Loa Loa (eye worm) hypothetical protein 0.0063 0.0099 0.0099
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0092 0.0191 0.0179
Loa Loa (eye worm) hypothetical protein 0.1381 0.4315 0.4315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0134 0.0327 0.0315
Echinococcus multilocularis serotonin receptor 0.0144 0.0359 0.0346
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0313 0.09 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0134 0.0327 0.3704
Plasmodium falciparum potassium channel 0.0134 0.0327 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0134 0.0327 1
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0144 0.0359 0.0359
Loa Loa (eye worm) glutamate receptor 0.0043 0.0035 0.0035
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Onchocerca volvulus 0.0134 0.0327 0.3314
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0234 0.0647 0.0635
Plasmodium vivax potassium channel, putative 0.0134 0.0327 1
Toxoplasma gondii ion channel protein 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0359 0.0359
Onchocerca volvulus 0.0134 0.0327 0.3314
Onchocerca volvulus 0.0134 0.0327 0.3314
Echinococcus granulosus biogenic amine 5HT receptor 0.0144 0.0359 0.0346
Echinococcus granulosus calcium activated potassium channel variant 0.0134 0.0327 0.0315
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Onchocerca volvulus 0.0134 0.0327 0.3314
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0134 0.0327 0.5
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0296 0.0845 0.0845
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Echinococcus granulosus potassium channel subfamily K 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0046 0.0043 0.0043
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0134 0.0327 1
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0092 0.0191 0.0191
Schistosoma mansoni serine-rich repeat protein 0.0346 0.1003 0.0992
Brugia malayi hypothetical protein 0.0134 0.0327 0.3704
Schistosoma mansoni ephrin receptor 0.0064 0.0101 0.0089
Schistosoma mansoni calcium-activated potassium channel 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0053 0.0067 0.0067
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Onchocerca volvulus 0.0134 0.0327 0.3314
Onchocerca volvulus 0.0063 0.0099 0.0654
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0046 0.0046 0.0033
Echinococcus multilocularis endothelin converting enzyme 1 0.0092 0.0191 0.0179
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0134 0.0327 0.0315
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Brugia malayi Cache domain containing protein 0.0296 0.0845 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus granulosus twik family of potassium channels 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Mycobacterium ulcerans ion transport protein 0.0134 0.0327 1
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0346 0.1003 0.0992
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1289 0.4022 0.4014
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni twik family of potassium channels-related 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0137 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0134 0.0327 0.0327
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1472 0.4605 0.4599
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Leishmania major hypothetical protein, conserved 0.0134 0.0327 1
Leishmania major calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Loa Loa (eye worm) TWK-28 protein 0.0134 0.0327 0.0327
Echinococcus granulosus ephrin type A receptor 4 A 0.0064 0.0101 0.0089
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0134 0.0327 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0068 0.0115 0.0115
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0404 0.1188 0.1188
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0669 0.2039 0.2029
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Onchocerca volvulus 0.0134 0.0327 0.3314
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0134 0.0327 0.0315
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0134 0.0327 0.3704
Onchocerca volvulus 0.0134 0.0327 0.3314
Onchocerca volvulus 0.0134 0.0327 0.3314
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Leishmania major potassium channel subunit-like protein 0.0134 0.0327 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0046 0.0033
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0134 0.0327 0.3704
Brugia malayi Telomerase reverse transcriptase 0.0228 0.0626 0.7337
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.3158 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0134 0.0327 1
Leishmania major ion transport protein-like protein 0.0134 0.0327 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0134 0.0327 0.3704
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0134 0.0327 0.3704
Brugia malayi hypothetical protein 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Loa Loa (eye worm) TK/EPH protein kinase 0.0081 0.0157 0.0157
Echinococcus multilocularis twik family of potassium channels 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0092 0.0191 0.0191
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0134 0.0327 0.3704
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0046 0.0046 0.0033
Toxoplasma gondii peptidase family M13 protein 0.0092 0.0191 0.1289
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0134 0.0327 0.3704
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0053 0.0067 0.0054
Echinococcus granulosus metabotropic glutamate receptor 5 0.0053 0.0067 0.0054
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0324 0.0933 0.0921
Plasmodium vivax potassium channel, putative 0.0134 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0046 0.0033
Schistosoma mansoni amine GPCR 0.0367 0.107 0.1059
Schistosoma mansoni hypothetical protein 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis small conductance calcium activated potassium 0.3158 1 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0137 0.0335 0.3796
Echinococcus multilocularis twik family of potassium channels 0.0134 0.0327 0.0315
Giardia lamblia Hypothetical protein 0.0134 0.0327 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0642 0.1951 0.1941
Plasmodium falciparum potassium channel 0.0134 0.0327 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0092 0.0191 0.0179
Loa Loa (eye worm) hypothetical protein 0.0092 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0137 0.0335 0.0335
Schistosoma mansoni calcium-activated potassium channel 0.262 0.8279 0.8277
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus multilocularis ephrin type A receptor 4 A 0.0064 0.0101 0.0089
Leishmania major hypothetical protein, conserved 0.0134 0.0327 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0043 0.0035 0.0157
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0134 0.0327 0.3704
Mycobacterium leprae probable zinc metalloprotease 0.0092 0.0191 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0134 0.0327 0.3704
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0134 0.0327 0.3704
Echinococcus multilocularis serotonin receptor 0.0144 0.0359 0.0346
Echinococcus multilocularis potassium channel subfamily K 8 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Brugia malayi Peptidase family M13 containing protein 0.0092 0.0191 0.2056
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus granulosus potassium channel subfamily K 8 0.0134 0.0327 0.0315
Loa Loa (eye worm) uncoordinated protein 58 0.0134 0.0327 0.0327
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0134 0.0327 0.3704
Loa Loa (eye worm) hypothetical protein 0.0069 0.012 0.012
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0134 0.0327 1
Echinococcus multilocularis calcium activated potassium channel variant 0.0134 0.0327 0.0315
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0134 0.0327 0.3704
Echinococcus multilocularis potassium channel subfamily K 0.0134 0.0327 0.0315
Echinococcus granulosus voltage dependent calcium channel subunit 0.0669 0.2039 0.2029
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0137 0.0335 0.3796
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327
Echinococcus granulosus potassium channel subfamily K 8 0.0134 0.0327 0.0315
Loa Loa (eye worm) hypothetical protein 0.0134 0.0327 0.0327

Activities

Activity type Activity value Assay description Source Reference
K inact (binding) d 0 min-1 Inhibition of Escherichia coli threonine synthase expressed as inactivation constant; d : indicates competitive inhibitor ChEMBL. No reference
Ki (binding) = 0.000033 M Inhibition of threonine synthase in Escherichia coli ChEMBL. No reference

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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