BIOPEP-UWM: Report

ID 274
Name Furin inhibitor
sequence
GIIR

Function:
Predicted ligand of furin (EC 3.4.21.75) (MEROPS ID: S08.071; PDB ID: 6HLD)
 
Number of residues
4
Activity code
fur
Activity :
furin inhibitor
Chemical mass 457.5660 Monoisotopic mass 457.3004
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@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C20H39N7O5/c1-5-11(3)15(26-14(28)10-21)18(30)27-16(12(4)6-2)17(29)25-13(19(31)32)8-7-9-24-20(22)23/h11-13,15-16H,5-10,21H2,1-4H3,(H,25,29)(H,26,28)(H,27,30)(H,31,32)(H4,22,23,24)/t11-,12-,13-,15-,16-/m0/s1

InChIKey=FTBUNQKJGJANGZ-IICXDKKESA-N


Bioactivity predicted using molecular docking



Database reference: