BIOPEP-UWM: Report

ID 636
Name ACE inhibitor
sequence
PI

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 228.2873 Monoisotopic mass 228.1469
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])([C@]([H])(CC)C)C(=O)O

InChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1

InChIKey=OCYROESYHWUPBP-CIUDSAMLSA-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 8857)




Database reference:
BIOPEP-UWM database of bioactive peptides: ID 8857

CAS: Registry No 51926-51-3

ChEBI: ID 74790

ChemSpider: ID 5430866

ChEMBL: ID CHEMBL55967

EPA DSSTOX: ID DTXCID501393895

FooDB: ID FDB098399

HMDB: ID HMDB0304810

J-GLOBAL: ID 200907053275033924

Metabolomics Workbench: ID 78945

Nikkaji: ID J149.650F

PubChem: CID 7079601

SureChEMBL: ID 8720606

Wikidata: ID Q27144901

ZINC: ID ZINC000004030027