Thr-Ala

Details

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Internal ID d77a4c02-e817-457e-9cd6-b132f628b8d8
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid
SMILES (Canonical) CC(C(C(=O)NC(C)C(=O)O)N)O
SMILES (Isomeric) C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)O)N)O
InChI InChI=1S/C7H14N2O4/c1-3(7(12)13)9-6(11)5(8)4(2)10/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1
InChI Key VPZKQTYZIVOJDV-LMVFSUKVSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C7H14N2O4
Molecular Weight 190.20 g/mol
Exact Mass 190.09535693 g/mol
Topological Polar Surface Area (TPSA) 113.00 Ų
XlogP -3.90

Synonyms

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Thr-Ala
56217-50-6
L-THREONYL-L-ALANINE
threonylalanine
CHEBI:74824
(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid
(S)-2-((2S,3R)-2-Amino-3-hydroxybutanamido)Propanoic acid
TA dipeptide
Threoninylalanine
Threonyl-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 Thr-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
CHEMBL4040 P28482 MAP kinase ERK2 98.82% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.79% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.74% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 89.95% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.41% 100.00%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 88.08% 92.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.51% 93.56%
CHEMBL1255126 O15151 Protein Mdm4 85.60% 90.20%
CHEMBL3308 P55212 Caspase-6 85.16% 97.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.13% 85.14%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 82.33% 81.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.97% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.38% 99.17%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 80.29% 87.67%

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 7010578
LOTUS LTS0054914
wikiData Q27144933