Trp-Ala

Details

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Internal ID 1626484b-a7db-4efb-a999-58bfe337d7f7
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,11-/m0/s1
InChI Key OHGNSVACHBZKSS-KWQFWETISA-N
Popularity 28 references in papers

Physical and Chemical Properties

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Molecular Formula C14H17N3O3
Molecular Weight 275.30 g/mol
Exact Mass 275.12699141 g/mol
Topological Polar Surface Area (TPSA) 108.00 Ų
XlogP -2.00

Synonyms

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Trp-Ala
24046-71-7
L-tryptophyl-L-alanine
tryptophylalanine
CHEMBL188866
CHEBI:73710
(S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)propanoic acid
Tryptophanyl-alanine
L-Trp-L-Ala
L-Tryptophanyl-L-alanine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Trp-Ala

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 97.76% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.07% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.27% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.69% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 94.55% 90.20%
CHEMBL4040 P28482 MAP kinase ERK2 94.23% 83.82%
CHEMBL221 P23219 Cyclooxygenase-1 89.50% 90.17%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.69% 89.62%
CHEMBL2535 P11166 Glucose transporter 86.76% 98.75%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.55% 100.00%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 85.24% 83.10%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.46% 94.62%
CHEMBL3310 Q96DB2 Histone deacetylase 11 83.07% 88.56%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 82.18% 97.23%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 82.15% 92.29%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 81.96% 95.48%
CHEMBL5028 O14672 ADAM10 81.52% 97.50%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.33% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.05% 96.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 6993401
LOTUS LTS0125141
wikiData Q27144060