PPIRE07492
Target Protein Information
| Protein_Name | Gastrin/cholecystokinin type B receptor |
|---|---|
| Protein_Sequence | MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG |
| Organism_Source | Rattus norvegicus |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | Cckbr |
| UniProt_ID | P30553 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 1b |
|---|---|
| Peptide_Sequence | YxGWXDF |
| Peptide_Length | 7 |
| Peptide_SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X2=penicillamine; X5=3-trans-mercaptoproline |
| Cyclization_Method | Side chain-side chain cyclization; X2<->X5; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 800.83 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.42857 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | -1.00242 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 10 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 311.24000 |
| X_logP_energy | -1.40900 |
Interaction Information
| Affinity | IC50=10000 nM |
|---|---|
| Affinity_Assay | radioligand binding assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Novel cilengitide-based cyclic RGD peptides as AlphavBeta3 integrin inhibitors. |
| Release_Year | 1995 |
| PMID | 32094009 |
| DOI | 10.1016/j.bmcl.2020.127039 |