BIOPEP-UWM: Report

ID 609
Name ACE inhibitor
sequence
PKY
Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
3
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 406.4748 Monoisotopic mass 406.2209
EC50 :
0.00 µM


Bibliographic data:
Authors
Gu J., Yue S., Yang X., Lu Z., Wang Z., Wei X., Zhou L., Zhao Z., Shi Z., Zhao Z.
Title
Unlocking novel angiotensin-converting enzyme inhibitory peptides from Nili Ravi buffalo milk β-casein: A synergistic strategy combining targeted hydrolysis, 3D-QSAR modeling, and mechanistic insights. Food Biosci., 71, 107346, 2025
Year Source
2025 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C20H30N4O5/c21-10-2-1-4-16(23-18(26)15-5-3-11-22-15)19(27)24-17(20(28)29)12-13-6-8-14(25)9-7-13/h6-9,15-17,22,25H,1-5,10-12,21H2,(H,23,26)(H,24,27)(H,28,29)/t15-,16-,17-/m0/s1

InChIKey=WCNVGGZRTNHOOS-ULQDDVLXSA-N


Activity predicted using QSAR


Database reference:
ChEBI: ID 162493

Metabolomics Workbench: ID 84894

PubChem: CID 145457527

UniChem: ID 176706037

Wikidata: ID Q106021190