BIOPEP-UWM: Report

ID 86
Name bitter peptide
sequence
RPPF
Function:
Predicted ligand of hTAS2R1 bitter taste receptor
 
Number of residues
4
Activity code
bi
Activity :
bitter taste peptide
Chemical mass 515.6037 Monoisotopic mass 515.2848
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)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C25H37N7O5/c26-17(9-4-12-29-25(27)28)22(34)32-14-6-11-20(32)23(35)31-13-5-10-19(31)21(33)30-18(24(36)37)15-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,26H2,(H,30,33)(H,36,37)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1

InChIKey=PMXVNFGILNBOCC-MUGJNUQGSA-N


Activity predicted using 3D QSAR


Database reference: