PPIRE07605

Target Protein Information
Protein_Name Gastrin/cholecystokinin type B receptor
Protein_Sequence MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names CCKBR
UniProt_ID P32239
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CCK8
Peptide_Sequence DXMGWMDF
Peptide_Length 8
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification X2=sulfotyrosine; F8=amidated
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 958.07
Aliphatic_Index 0.00000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.62500
Charge_at_pH_7 -2.00112
Isoelectric_Point 3.49188
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 12
Topological_Polar_Surface_Area 357.41000
X_logP_energy -1.52300
Interaction Information
Affinity IC50=0.019 uM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Conformationally constrained CCK8 analogues obtained from a rationally designed peptide library as ligands for cholecystokinin type B receptor.
Release_Year 2006
PMID 16915602
DOI 10.1002/cmdc.200600054