PPIRE10240

Target Protein Information
Protein_Name Gastrin-releasing peptide receptor
Protein_Sequence MALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names GRPR
UniProt_ID P30550
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name JMV4168
Peptide_Sequence XXfQWAVGHXL
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(C)C)C(=O)O
Chemical_Modification X1=beta-alanine; X2=beta-alanine; X10=statine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Dota
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1128.26
Aliphatic_Index 70.90909
Aromaticity 0.18182
Average_Rotatable_Bonds 3.00000
Charge_at_pH_7 0.08889
Isoelectric_Point 7.55032
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 441.88000
X_logP_energy -3.30810
Interaction Information
Affinity IC50=8.2 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Gastrin releasing peptide receptor-directed radioligands based on a bombesin antagonist: synthesis, (111)in-labeling, and preclinical profile.
Release_Year 2013
PMID 23427837
DOI 10.1021/jm301692p