BIOPEP-UWM: Report

ID 265
Name Calpain 1 inhibitor
sequence
GAK
Function:
Predicted ligand of calpain 1 (EC 3.4.22.52) (AlphaFold ID: AF-P07384-F1)
 
Number of residues
3
Activity code
cal1
Activity :
calpain 1 inhibitor
Chemical mass 274.3159 Monoisotopic mass 274.1636
EC50 :
0.00 µM


Bibliographic data:
Authors
Fatoki T. H., Aluko R. E., Udenigwe C. C.
Title
In silico investigation of molecular targets, pharmacokinetics, and biological activities of chicken egg ovalbumin protein hydrolysates. J. Food Bioact., 17, 34–48, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


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

InChI=1S/C11H22N4O4/c1-7(14-9(16)6-13)10(17)15-8(11(18)19)4-2-3-5-12/h7-8H,2-6,12-13H2,1H3,(H,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1

InChIKey=JBRBACJPBZNFMF-YUMQZZPRSA-N


Bioactivity predicted using molecular docking


Database reference:
CAS: Registry No 71227-71-9

ChEBI: ID 163428

EPA CompTox: ID DTXSID70825520

Metabolomics Workbench: ID 81867

PubChem: CID 71404690