BIOPEP-UWM: Report

ID 315
Name Dipeptidyl peptidase IV inhibitor
sequence
MRAK
Function:
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 1WCY)
 
Number of residues
4
Activity code
dpp
Activity :
dipeptidyl peptidase IV inhibitor
Chemical mass 504.6467 Monoisotopic mass 504.2834
EC50 :
0.00 µM


Bibliographic data:
Authors
Aguilar-Toalá J. E., Cruz-Narváez Y., Quintanar-Guerrero D., Liceaga A. M., Zambrano-Zaragoza M. L.
Title
In silico bioactivity analysis of peptide fractions derived from brewer’s spent grain hydrolysates. Int. J. Food Sci. Technol., 59, 2804–2815, 2024
Year Source
2024 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C20H40N8O5S/c1-12(16(29)28-15(19(32)33)6-3-4-9-21)26-18(31)14(7-5-10-25-20(23)24)27-17(30)13(22)8-11-34-2/h12-15H,3-11,21-22H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)(H,32,33)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1

InChIKey=SERNZFSXCXOGIV-AJNGGQMLSA-N


Bioactivity predicted by molecular docking


Database reference: