PPIRE00466

Target Protein Information
Protein_Name Cholecystokinin receptor type A
Protein_Sequence MDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names CCKAR
UniProt_ID P32238
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Compound 12
Peptide_Sequence XXDXXGWXXF
Peptide_Length 10
Peptide_SMILES NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification X1=Gamma-Glutamic Acid, X2=(Oligoethylene Glycol)2, X4=4-Sulfotyrosine, X5=Norleucine, X8=Norleucine, X9=cis-4-Hydroxyproline
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification C18 Dicarboxylic Acid
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 865.86
Aliphatic_Index 0.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 2.50000
Charge_at_pH_7 -1.00157
Isoelectric_Point 3.74999
Number_of_Hydrogen_Bond_Acceptors 12
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 378.31000
X_logP_energy -5.37730
Interaction Information
Affinity Ki=20 nM
Affinity_Assay Scintillation Proximity Assay (SPA)
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Research Articles
Title Structure-Activity Relationships and Characterization of Highly Selective, Long-Acting, Peptide-Based Cholecystokinin 1 Receptor Agonists.
Release_Year 2019
PMID 30624060
DOI 10.1021/acs.jmedchem.8b01558