PPIPT02623

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 Plasma membrane
Gene_Names CALCRL
UniProt_ID Q16602
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SEQ ID NO:31
Peptide_Sequence WVTHXLAGLLSXSGGVWRKNFVPTDVGPFAF
Peptide_Length 31
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C
Chemical_Modification X5=citrulline; X11=citrulline
Cyclization_Method none
Linear/Cyclic Linear
N-terminal_Modification acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3273.74
Aliphatic_Index 81.61290
Aromaticity 0.16129
Average_Rotatable_Bonds 3.12903
Charge_at_pH_7 1.08904
Isoelectric_point 9.69702
Number_of_Hydrogen_Bond_Acceptors 41
Number_of_Hydrogen_Bond_Donors 43
Topological_Polar_Surface_Area 1228.23000
X_logP_energy -9.82433
Interaction Information
Affinity Ki=0.46 nM
Affinity_Assay radioligand binding assay
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title CGRP PEPTIDE ANTAGONISTS AND CONJUGATES
Release_Year 2008
Patent_ID US20080020978A1