PPIPT01227

Target Protein Information
Protein_Name Calcitonin gene-related peptide type 1 receptor
Protein_Sequence MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Extracellular
Gene_Names CALCRL
UniProt_ID Q16602
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CGRPmut [N31D/S34P/K35F] (27-37)
Peptide_Sequence FVPTDVGPWAF
Peptide_Length 11
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1235.40
Aliphatic_Index 61.81818
Aromaticity 0.27273
Average_Rotatable_Bonds 2.72727
Charge_at_pH_7 -1.00157
Isoelectric_point 3.74999
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 410.06000
X_logP_energy -0.71310
Interaction Information
Affinity Ki=36 nM
Affinity_Assay Fluorescence Polarization
PDB_ID 4RWG
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title VARIANTS OF ADRENOMEDULLIN AND CALCITONIN GENE-RELATED PEPTIDE AND METHODS OF USE
Release_Year 2020
Patent_ID US20200024320A1