BIOPEP-UWM: Report

ID 269
Name Calpain 1 inhibitor
sequence
PVQM
Function:
Predicted ligand of calpain 1 (EC 3.4.22.52) (AlphaFold ID: AF-P07384-F1)
 
Number of residues
4
Activity code
cal1
Activity :
calpain 1 inhibitor
Chemical mass 473.5865 Monoisotopic mass 473.2300
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: N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCSC)C(=O)O

InChI=1S/C20H35N5O6S/c1-11(2)16(25-17(27)12-5-4-9-22-12)19(29)23-13(6-7-15(21)26)18(28)24-14(20(30)31)8-10-32-3/h11-14,16,22H,4-10H2,1-3H3,(H2,21,26)(H,23,29)(H,24,28)(H,25,27)(H,30,31)/t12-,13-,14-,16-/m0/s1

InChIKey=NXRFGDLASSUOKF-YXWQFLTLSA-N


Bioactivity predicted using molecular docking


Database reference: