BIOPEP-UWM: Report

ID 8680
Name dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)
sequence
WN
Function:
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003)
 
Number of residues
2
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 318.3271 Monoisotopic mass 318.1324
IC50 :
148.50 µM


Bibliographic data:
Authors
Nongonierma A. B., Mooney C., Shields D. C., FitzGerald R. J.
Title
In silico approaches to predict the potential of milk protein-derivedpeptides as dipeptidyl peptidase IV (DPP-IV) inhibitors. Peptides 57, 43-51, 2014
Year Source
2014 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CC(=O)N)C(=O)O

InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)/t10-,12-/m0/s1

InChIKey=GRQCSEWEPIHLBI-JQWIXIFHSA-N


Antagonist of Peroxisome proliferator-activated receptor γ (PPARγ) according to the BIOPEP-UWM database of bioactive peptides; the ChEMBL database


Database reference:
BindingDB: ID 50266679

BRENDA: Ligand L-tryptophyl-L-asparagine

CAS: Registry No 175027-11-9

ChEBI: ID 141447

ChEMBL: ID CHEMBL513911

ChemSpider: ID 5383126

DSigDB: ID d4ttd_6326

EPA CompTox: ID DTXSID901334463

EROP-Moscow: ID E10610

PubChem: CID 7020170

SureChEMBL: ID SCHEMBL21641799

UniChem: ID 256704

Wikidata: ID Q106026419

ZINC: ID ZINC000002561118