BIOPEP-UWM: Report

ID 85
Name bitter peptide
sequence
KPFF
Function:
Predicted ligand of hTAS2R1 bitter taste receptor
 
Number of residues
4
Activity code
bi
Activity :
bitter taste peptide
Chemical mass 537.6489 Monoisotopic mass 537.2942
EC50 :
0.00 µM


Bibliographic data:
Authors
Wang F., Yang W., Zhou B.
Title
Molecular-level understanding of the hTAS2R1 receptor-bitter tasting tetra-peptide binding: a structural biology study based on computational approaches. New J. Chem., 45, 21369-21381, 2021
Year Source
2021 Journal


Additional information:
BIOPEP-UWM database of sensory peptides and amino acids


SMILES: N[C@@]([H])(CCCCN)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C29H39N5O5/c30-16-8-7-14-22(31)28(37)34-17-9-15-25(34)27(36)32-23(18-20-10-3-1-4-11-20)26(35)33-24(29(38)39)19-21-12-5-2-6-13-21/h1-6,10-13,22-25H,7-9,14-19,30-31H2,(H,32,36)(H,33,35)(H,38,39)/t22-,23-,24-,25-/m0/s1

InChIKey=HHRYKHZBLXYLFB-QORCZRPOSA-N


Activity predicted using 3D QSAR


Database reference: