BIOPEP-UWM: Report

ID 613
Name ACE inhibitor
sequence
IQ
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 259.3013 Monoisotopic mass 259.1527
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)N)C(=O)O

InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1

InChIKey=CNPNWGHRMBQHBZ-ZKWXMUAHSA-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 8805)
Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 490); the ChEMBL database


Database reference:
AHTPDB: ID 3866

BioPepDB: ID biopep00571

BIOPEP-UWM database of bioactive peptides: ID 8805

BIOPEP-UWM database of sensory peptides and amino acids: ID 490

ChEBI: ID 74065

ChEMBL: ID CHEMBL55660

ChemSpider: ID 5383058

EROP-Moscow: ID E01609

FeptideDB: ID 8805

HMDB: ID HMDB0028905

Metabolights: ID MTBLC74065

Metabolomics Workbench: ID 78841

NMRShiftDB: ID 80004530

PubChem: CID 7020102

SATPdb: ID satpdb14532

SureChEMBL: ID SCHEMBL2488717

UniChem: ID 403664

Wikidata: ID Q27144378

ZINC: ID ZINC000002561059