Detailed information for compound 558414

Basic information

Technical information
  • TDR Targets ID: 558414
  • Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic aci d; (2S)-2,6-diaminohexanoic acid
  • MW: 327.376 | Formula: C15H25N3O5
  • H donors: 6 H acceptors: 5 LogP: -5 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)[C@H](Cc1ccc(cc1)O)N.NCCCC[C@@H](C(=O)O)N
  • InChi: 1S/C9H11NO3.C6H14N2O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4-2-1-3-5(8)6(9)10/h1-4,8,11H,5,10H2,(H,12,13);5H,1-4,7-8H2,(H,9,10)/t8-;5-/m00/s1
  • InChiKey: HFLSGZWXECPQND-JUUVMNCLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2,6-bis(azanyl)hexanoic acid
  • (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid; (2S)-2,6-diaminohexanoic acid
  • poly-L-lysyltyrosine
  • 31325-38-9
  • L-Tyrosine, polymer with L-lysine
  • Poly-lys-tyr

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
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0369 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.007 0.007
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0351 0.9488 0.9484
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0369 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0369 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.007 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.0075 0.0005
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0369 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.3787 0.3743
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.007 0.007
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0122 0.3012 0.296
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0241 0.6375 0.6348
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.007 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.007 0.007
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0247 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.007 0.007
Brugia malayi ecdysteroid receptor 0.0018 0.007 0.007
Echinococcus multilocularis sterol O acyltransferase 1 0.0149 0.3787 0.3743
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0369 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0369 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0247 0.0174
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0075 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0075 0.0005
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0369 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.007 0.007
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0247 0.0174
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0369 1 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0119 0.2912 0.2859
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0247 0.0174
Schistosoma mansoni sterol O-acyltransferase 1 0.0149 0.3787 0.3743
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0369 1 1
Onchocerca volvulus 0.0018 0.007 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0075 0.0075
Leishmania major hypothetical protein, conserved 0.0025 0.0247 0.0174
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0075 0.0005
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0135 0.3373 0.3326
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0128 0.3175 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0369 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.007 0.007
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0369 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.0075 0.0005
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.007 0.5
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0369 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.007 0.007
Brugia malayi nuclear hormone receptor 0.0018 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.007 0.007
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0247 0.0174
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0247 0.0174
Loa Loa (eye worm) hypothetical protein 0.0025 0.0247 0.0178
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.007 0.007
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.007 0.007
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0369 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.007 0.007
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0075 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.007 0.007
Echinococcus granulosus sterol O acyltransferase 1 0.0149 0.3787 0.3743
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0369 1 1
Brugia malayi nuclear receptor NHR-88 0.0018 0.007 0.007
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0247 0.0174
Brugia malayi steroid hormone receptor 0.0018 0.007 0.007
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0369 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0241 0.6375 0.6348
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0369 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0075 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.007 0.007
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0369 1 1
Brugia malayi hypothetical protein 0.0025 0.0247 0.0247

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.