PPIRE12767

Target Protein Information
Protein_Name Somatostatin receptor type 2
Protein_Sequence MELTSEQFNGSQVWIPSPFDLNGSLGPSNGSNQTEPYYDMTSNAVLTFIYFVVCVVGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMINVAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYAFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSVAISPTPALKGMFDFVVILTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGAEDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
Organism_Source Rattus norvegicus
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names Sstr2
UniProt_ID P30680
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Dimeric [Tyr3]octreotate(19-atom spacer)
Peptide_Sequence fCYwKTCTXfCYwKTCT
Peptide_Length 17
Peptide_SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O
Chemical_Modification X9=triazole-spacer
Cyclization_Method Side chain cyclization; C2<->C7; disulfide bond; C11<->C16; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification 6-Azidohexanoyl
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2141.52
Aliphatic_Index 0.00000
Aromaticity 0.35294
Average_Rotatable_Bonds 3.58824
Charge_at_pH_7 1.74779
Isoelectric_Point 8.32894
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 733.92000
X_logP_energy -3.88310
Interaction Information
Affinity IC50=4.6 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Spacer effects on in vivo properties of DOTA-conjugated dimeric [Tyr3]octreotate peptides synthesized by a Cu(I)-click and sulfo-click ligation method.
Release_Year 2011
PMID 21328514
DOI 10.1002/cbic.201000639