BIOPEP-UWM: Report

ID 610
Name ACE inhibitor
sequence
QE
Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
2
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 275.2578 Monoisotopic mass 275.1113
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])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChIKey=OWOFCNWTMWOOJJ-WDSKDSINSA-N


Activity predicted using QSAR


Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8869)


Database reference:
BindingDB: ID 50188514

BIOPEP-UWM database of bioactive peptides: ID 8869

BRENDA: Ligand Gln-Glu

CAS: Registry No 88830-90-4

ChEBI: ID 73847

ChEMBL: ID CHEMBL210850

ChemSpider: ID 5382986

EPA CompTox: ID DTXSID501309175

HMDB: ID HMDB0028796

Metabolights: ID MTBLC73847

Metabolomics Workbench: ID 78762

PubChem: CID 7020029

SureChEMBL: ID SCHEMBL435320

UniChem: ID 179877

UNII: ID EK6VPV7VWH

Wikidata: ID Q27144170

ZINC: ID ZINC000002560992