BIOPEP-UWM: Report

ID 622
Name ACE inhibitor
sequence
IHP
Function:
Predicted 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 365.4263 Monoisotopic mass 365.2057
EC50 :
0.00 µM


Bibliographic data:
Authors
Gu Y., Majumder K., Wu J.
Title
QSAR-aided in silico approach in evaluation of food proteins as precursors of ACE inhibitory peptides. Food Res. Int., 44, 2465-2474, 2011
Year Source
2011 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N1[C@@]([H])(CCC1)C(=O)O

InChI=1S/C17H27N5O4/c1-3-10(2)14(18)15(23)21-12(7-11-8-19-9-20-11)16(24)22-6-4-5-13(22)17(25)26/h8-10,12-14H,3-7,18H2,1-2H3,(H,19,20)(H,21,23)(H,25,26)/t10-,12-,13-,14-/m0/s1

InChIKey=LNJLOZYNZFGJMM-PYJNHQTQSA-N


Activity predicted using QSAR


Database reference:
AHTPDB: ID 2093

ChEBI: ID 181933

KEGG: ID C20973

PubChem: CID 15676221

SATPdd: ID satpdb24079

SureChEMBL: ID SCHEMBL30670295