BIOPEP-UWM: Report

ID 273
Name Furin inhibitor
sequence
VVR

Function:
Predicted ligand of furin (EC 3.4.21.75) (MEROPS ID: S08.071; PDB ID: 6HLD)
 
Number of residues
3
Activity code
fur
Activity :
furin inhibitor
Chemical mass 372.4618 Monoisotopic mass 372.2478
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: N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C16H32N6O4/c1-8(2)11(17)13(23)22-12(9(3)4)14(24)21-10(15(25)26)6-5-7-20-16(18)19/h8-12H,5-7,17H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1

InChIKey=RTJPAGFXOWEBAI-SRVKXCTJSA-N


Bioactivity predicted using molecular docking


Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the BIOPEP-UWM database of bioactive peptides (ID 9729)



Database reference:
BIOPEP-UWM database of bioactive peptides: ID 9729

ChEBI: ID 166433

ChemSpider: ID 16576092

Metabolomic Workbench: ID 87037

PubChem: CID 25123284