BIOPEP-UWM: Report

ID 10497
Name Acetylcholinesterase inhibitor
sequence
QSHFAD

Function:
Inhibitor of Acetylcholinesterase (EC 3.1.1.7)
 
Number of residues
6
Activity code
ache
Activity :
AChE inhibitor
Chemical mass 703.6986 Monoisotopic mass 703.2916
IC50 :
513.00 µM



Bibliographic data:
Authors
Asen N.D., Okagu O.D., Udenigwe C.C., Aluko R.E.
Title
In vitro inhibition of acetylcholinesterase activity by yellow field pea (Pisum sativum) protein-derived peptides as revealed by kinetics and molecular docking. Front. Nutr., 9, 2022
Year Source
2022 Journal



Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)O

InChI=1S/C30H41N9O11/c1-15(25(44)38-21(30(49)50)11-24(42)43)35-27(46)19(9-16-5-3-2-4-6-16)36-28(47)20(10-17-12-33-14-34-17)37-29(48)22(13-40)39-26(45)18(31)7-8-23(32)41/h2-6,12,14-15,18-22,40H,7-11,13,31H2,1H3,(H2,32,41)(H,33,34)(H,35,46)(H,36,47)(H,37,48)(H,38,44)(H,39,45)(H,42,43)(H,49,50)/t15-,18-,19-,20-,21-,22-/m0/s1

InChIKey=YNYSFTOAXGPYHU-TVVJCWKZSA-N

The IC50 value was calculated in μmol/L.



Database reference: