BIOPEP-UWM: Report

ID 84
Name bitter peptide
sequence
RFFE
Function:
Predicted ligand of hTAS2R1 bitter taste receptor
 
Number of residues
4
Activity code
bi
Activity :
bitter taste peptide
Chemical mass 597.6611 Monoisotopic mass 597.2902
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])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C29H39N7O7/c30-20(12-7-15-33-29(31)32)25(39)35-22(16-18-8-3-1-4-9-18)27(41)36-23(17-19-10-5-2-6-11-19)26(40)34-21(28(42)43)13-14-24(37)38/h1-6,8-11,20-23H,7,12-17,30H2,(H,34,40)(H,35,39)(H,36,41)(H,37,38)(H,42,43)(H4,31,32,33)/t20-,21-,22-,23-/m0/s1

InChIKey=XCVPUUXDOXIJBE-MLCQCVOFSA-N


Activity predicted using 3D QSAR


Database reference: