BIOPEP-UWM: Report

ID 8686
Name dipeptidyl peptidase IV inhibitor (DPP IV inhibitor)
sequence
WW
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 390.4342 Monoisotopic mass 390.1687
IC50 :
554.80 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-derived peptides 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](CC1=C[NH]C2=CC=CC=C12)C(=O)O

InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)/t17-,20-/m0/s1

InChIKey=NQIHMZLGCZNZBN-PXNSSMCTSA-N


First reference concerning DPPIV inhibition
Yamada M., Okagaki C., Higashijima T., Tanaka S., Ohnuki T., Sugita T., 1998, A potent dipeptide inhibitor of dipeptidyl peptidase IV. Bioorg. Med. Chem. Lett., 8, 1537-1540


Inhibitor of hemoglobin S gelation according to the ChEMBL database, the PubChem database


Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids, the BitterDB database, the ChEMBL database, the PubChem database


Database reference:
BindingDB: ID 50188479

BIOPEP-UWM database of sensory peptides and amino acids: ID 342

BitterDB: ID 832

BRENDA: Ligand Trp-Trp

ChEBI: ID 74876

ChEMBL: ID CHEMBL286852

ChemIDplus: ID 020696600

ChemSpider: ID 79994

EROP-Moscow: ID E10612

PubChem: ID 88656

ZINC: ID ZINC01557161