BIOPEP-UWM: Report

ID 591
Name ACE inhibitor
sequence
IEK
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 388.4579 Monoisotopic mass 388.2314
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: N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C17H32N4O6/c1-3-10(2)14(19)16(25)20-11(7-8-13(22)23)15(24)21-12(17(26)27)6-4-5-9-18/h10-12,14H,3-9,18-19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10-,11-,12-,14-/m0/s1

InChIKey=DFJJAVZIHDFOGQ-MNXVOIDGSA-N


Activity predicted using QSAR


Database reference:
ChEBI: ID 158392

Metabolomics Workbench: ID 82787

PubChem: CID 145456136

UniChem: ID 176704685

Wikidata: ID Q106011961