PPIPT00857
Target Protein Information
| Protein_Name | C5a anaphylatoxin chemotactic receptor 1 |
|---|---|
| Protein_Sequence | MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | C5AR1 |
| UniProt_ID | P21730 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | AcF-OPdChaWR |
|---|---|
| Peptide_Sequence | AcFXPxWR |
| Peptide_Length | 8 |
| Peptide_SMILES | C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | X2=ornithine; X4=cyclohexylalanine |
| Cyclization_Method | Side chain-side chain cyclization; X2<->R6; amide bond |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 893.03 |
|---|---|
| Aliphatic_Index | 12.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 2.87500 |
| Charge_at_pH_7 | 0.93601 |
| Isoelectric_point | 8.54991 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 335.92000 |
| X_logP_energy | -2.25943 |
Interaction Information
| Affinity | IC50=0.45 uM |
|---|---|
| Affinity_Assay | radioligand binding assay |
| PDB_ID | None |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | CYCLIC PEPTIDES AS G-PROTEIN-COUPLED RECEPTOR ANTAGONSTS |
| Release_Year | 2006 |
| Patent_ID | US20060217530A1 |