BIOPEP-UWM: Report

ID 635
Name ACE inhibitor
sequence
DV
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 232.2331 Monoisotopic mass 232.1055
EC50 :
0.00 µM


Bibliographic data:
Authors
Wu J., Aluko R. E.
Title
Quantitative structure-activity relationship study of bitter di- and tri-peptides including relationship with angiotensin I-converting enzyme inhibitory activity. J. Pept. Sci., 13, 63-69, 2007
Year Source
2007 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O

InChI=1S/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7-/m0/s1

InChIKey=CPMKYMGGYUFOHS-FSPLSTOPSA-N


Activity predicted using QSAR


Sour peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 266)
Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 354)


Database reference:
AHTPDB: ID 5440

BindingDB: ID 50188511

BIOPEP-UWM database of sensory peptides and amino acids: ID 266; 354

BRENDA: Ligand L-Asp-L-Val

CAS: Registry No 13433-04-0

ChEBI: ID 73832

ChEMBL: ID CHEMBL441685

ChemSpider: ID 5373196

DFBP: ID DFBPACEI2422

EPA DSSTox: ID DTXSID001314995

J-GLOBAL: ID 200907089184433924

Metabolights: ID MTBLC73832

Metabolomics Workbench: ID 78735

Nikkaji: ID J81.615I

PubChem: ID 7009616

SureChEMBL: ID 3785072

UniChem: ID 439450

Wikidata: ID Q27144150

ZINC: ID ZINC000002384839