BIOPEP-UWM: Report

ID 597
Name ACE inhibitor
sequence
PGE

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 301.2950 Monoisotopic mass 301.1269
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)NCC(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C12H19N3O6/c16-9(6-14-11(19)7-2-1-5-13-7)15-8(12(20)21)3-4-10(17)18/h7-8,13H,1-6H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1

InChIKey=VYWNORHENYEQDW-YUMQZZPRSA-N


Activity predicted using QSAR



Database reference:
BRENDA: Ligand PGE

ChEBI: ID 162309

ChemSpider: ID 8325059

Metabolomics Workbench: ID 84802

PubChem: CID 10149551

SureChEMBL: ID 30193538

UniChem: ID 34287912

Wikidata: ID Q106028033