PPIPT00181
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 | 3D53 |
|---|---|
| Peptide_Sequence | FXPXWR |
| Peptide_Length | 6 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain cyclization; Orn2<->Arg6; other bonds |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 718.81 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 277.72000 |
| X_logP_energy | -1.17873 |
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 ANTAGONISTS |
| Release_Year | 2012 |
| Patent_ID | US20120302493A1 |