BIOPEP-UWM: Report

ID 9025
Name ACE inhibitor
sequence
FEP

Function:
Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
3
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 391.4173 Monoisotopic mass 391.1737
IC50 :
12.02 µM



Bibliographic data:
Authors
Wu J., Aluko R. E., Nakai S.
Title
Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006
Year Source
2006 Journal



Additional information:

BIOPEP database of bioactive peptides


SMILES: N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)O

InChI=1S/C19H25N3O6/c20-13(11-12-5-2-1-3-6-12)17(25)21-14(8-9-16(23)24)18(26)22-10-4-7-15(22)19(27)28/h1-3,5-6,13-15H,4,7-11,20H2,(H,21,25)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1

InChIKey: CSDMCMITJLKBAH-KKUMJFAQSA-N


Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/); ID: M02-001




Database reference:
AHTPDB: ID 1515

BindingDB: ID 50049725

BIoPepDB: ID biopep00222

ChEMBL: ID CHEMBL3321995

ChemSpider: ID 58109299

PubChem: CID 118709850

SATPdb: ID satpdb22996

ZINC: ID ZINC000299825893