BIOPEP-UWM: Report

ID 621
Name ACE inhibitor
sequence
PY
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 278.3030 Monoisotopic mass 278.1262
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](CC1=CC=C(C=C1)O)C(=O)O

InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20)/t11-,12-/m0/s1

InChIKey=OIDKVWTWGDWMHY-RYUDHWBXSA-N


Activity predicted using QSAR


Insecticidal peptide according to the ChEMBL database
Antinociceptive peptide according to the ChEMBL database
Inhibitor of phospholipase A2 (phosphatidylcholine 2-acylhydrolase) (EC 3.1.1.4) according to the BIOPEP-UWM database of bioactive peptides (ID 9279)
Ligand of neurotensin receptor according to the the BIOPEP-UWM database of bioactive peptides (ID 9657); the ChEMBL database
Inhibitor of Dipeptidyl Peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) according to the BIOPEP-UWM database of bioactive peptides (ID 8866)
Anti-inflammatory peptide according to the BIOPEP-UWM database of bioactive peptides (ID 9856)
Antioxidative peptide according to the BIOPEP-UWM database of bioactive peptides (ID 10992)

Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 491); the ChEMBL database


Database reference:
ACToR: ID 19786-36-8

AHTPDB: ID ahtpdb_3874

BioPepDB: ID biopep01129

BIOPEP-UWM database of bioactive peptides: ID 8866; 9279; 9657; 9856; 10992

BIOPEP-UWM database of sensory peptides and amino acids: ID 491

BRENDA: Ligand Pro-Tyr

CAS: Registry No 19786-36-8

ChEBI: ID 74799

ChEMBL: ID CHEMBL298979

ChemIplus: ID 19786-36-8

ChemSpider: ID 134207

CTD: ID 19786-36-8

eChemPortal: ID 19786-36-8

EPA CompTox: ID DTXSID30173493

EPA DSSTox: ID DTXCID8095984

EROP-Moscow: ID E23771

FeptideDB: ID 8866

FooDB: ID FDB112037

HMDB: ID HMDB0029029

J-GLOBAL: ID 200907072092938094

Metabolights: ID MTBLC74799

Metabolomics Workbench: ID 78954

Nikkaji: ID J151.291I

PMhub: ID MS000242803

PubChem: CID 152264

SATPdb: ID satpdb26503

SureChEMBL: ID SCHEMBL6367397

Wikidata: ID Q27144910

ZINC: ID ZINC000004899447