PPIRE09081
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 | Tetrameric DOTA-conjugated [Tyr3]octreotide |
|---|---|
| Peptide_Sequence | XfCYwKTCX |
| Peptide_Length | 9 |
| Peptide_SMILES | C[C@@H](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)CN)C(=O)N[C@@H](CS)C(=O)NCC(=O)O |
| Chemical_Modification | X1=6-aminohexanoic acid; X9=threoninol |
| Cyclization_Method | Side chain-side chain cyclization; C3<->C8; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | N3-Ahx |
| C-terminal_Modification | threoninol |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1064.24 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.33333 |
| Charge_at_pH_7 | 0.87289 |
| Isoelectric_Point | 8.22117 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 16 |
| Topological_Polar_Surface_Area | 378.39000 |
| X_logP_energy | -2.17610 |
Interaction Information
| Affinity | IC50=14 nM |
|---|---|
| Affinity_Assay | competitive radioligand binding assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis of DOTA-conjugated multimeric [Tyr3]octreotide peptides via a combination of Cu(I)-catalyzed click cycloaddition and thio acid/sulfonyl azide sulfo-click amidation and their in vivo evaluation. |
| Release_Year | 2010 |
| PMID | 20411957 |
| DOI | 10.1021/jm100246m |