BIOPEP-UWM: Report

ID 593
Name ACE inhibitor
sequence
PKHKE

Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
 
Number of residues
5
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 637.7264 Monoisotopic mass 637.3537
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])(CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C28H47N9O8/c29-11-3-1-6-19(25(41)36-21(28(44)45)9-10-23(38)39)35-27(43)22(14-17-15-31-16-33-17)37-26(42)20(7-2-4-12-30)34-24(40)18-8-5-13-32-18/h15-16,18-22,32H,1-14,29-30H2,(H,31,33)(H,34,40)(H,35,43)(H,36,41)(H,37,42)(H,38,39)(H,44,45)/t18-,19-,20-,21-,22-/m0/s1

InChIKey=IJMBSBKLHDLUKD-YFNVTMOMSA-N


Activity predicted using QSAR



Database reference: