Alanyl-glycyl-serine

Details

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Internal ID ba9dbcb2-ebfb-47a0-9027-d4bd76c3f568
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
IUPAC Name (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
SMILES (Canonical) CC(C(=O)NCC(=O)NC(CO)C(=O)O)N
SMILES (Isomeric) C[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)N
InChI InChI=1S/C8H15N3O5/c1-4(9)7(14)10-2-6(13)11-5(3-12)8(15)16/h4-5,12H,2-3,9H2,1H3,(H,10,14)(H,11,13)(H,15,16)/t4-,5-/m0/s1
InChI Key NBTGEURICRTMGL-WHFBIAKZSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C8H15N3O5
Molecular Weight 233.22 g/mol
Exact Mass 233.10117059 g/mol
Topological Polar Surface Area (TPSA) 142.00 Ų
XlogP -5.00

Synonyms

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L-alanylglycyl-L-serine
85807-50-7
DTXSID10235088
RefChem:924384
DTXCID10157579
(2S)-2-((2-(((2S)-2-aminopropanoyl)amino)acetyl)amino)-3-hydroxypropanoic acid
Ala-gly-ser
L-Ala-Gly-L-Ser
L-Alanyl-glycyl-L-serine
A-G-S
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Alanyl-glycyl-serine

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 98.54% 83.82%
CHEMBL2581 P07339 Cathepsin D 97.90% 98.95%
CHEMBL236 P41143 Delta opioid receptor 93.71% 99.35%
CHEMBL221 P23219 Cyclooxygenase-1 92.75% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.27% 96.09%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 90.28% 100.00%
CHEMBL226 P30542 Adenosine A1 receptor 88.28% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.96% 94.45%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 87.62% 92.29%
CHEMBL1255126 O15151 Protein Mdm4 87.57% 90.20%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.36% 97.21%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 87.28% 89.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.83% 99.17%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 86.63% 96.67%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.51% 96.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.76% 93.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.11% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.77% 96.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.60% 96.47%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 83.39% 97.23%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 83.32% 97.88%
CHEMBL2413 P32246 C-C chemokine receptor type 1 82.87% 89.50%
CHEMBL340 P08684 Cytochrome P450 3A4 82.52% 91.19%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.27% 90.71%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 80.18% 96.03%

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 135103
LOTUS LTS0093345
wikiData Q27140456