PPIRE09709

Target Protein Information
Protein_Name Gonadotropin-releasing hormone receptor
Protein_Sequence MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names GNRHR
UniProt_ID P30968
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DOTA-Ahx-(D-Lys6-GnRH1)
Peptide_Sequence XHWSYkLRPG
Peptide_Length 10
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
Chemical_Modification X1=pyroglutamate; k6=Ahx-DOTA
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Pyroglutamylation
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1200.37
Aliphatic_Index 39.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 2.08774
Isoelectric_Point 10.45503
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 489.28000
X_logP_energy -3.40073
Interaction Information
Affinity IC50=36.1 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Synthesis and evaluation of novel gonadotropin-releasing hormone receptor-targeting peptides.
Release_Year 2011
PMID 21749045
DOI 10.1021/bc200252j