PPIPT01117

Target Protein Information
Protein_Name Calcitonin receptor
Protein_Sequence MRFTFTSRCLALFLLLNHPTPILPAFSNQTYPTIEPKPFLYVVGRKKMMDAQYKCYDRMQQLPAYQGEGPYCNRTWDGWLCWDDTPAGVLSYQFCPDYFPDFDPSEKVTKYCDEKGVWFKHPENNRTWSNYTMCNAFTPEKLKNAYVLYYLAIVGHSLSIFTLVISLGIFVFFRSLGCQRVTLHKNMFLTYILNSMIIIIHLVEVVPNGELVRRDPVSCKILHFFHQYMMACNYFWMLCEGIYLHTLIVVAVFTEKQRLRWYYLLGWGFPLVPTTIHAITRAVYFNDNCWLSVETHLLYIIHGPVMAALVVNFFFLLNIVRVLVTKMRETHEAESHMYLKAVKATMILVPLLGIQFVVFPWRPSNKMLGKIYDYVMHSLIHFQGFFVATIYCFCNNEVQTTVKRQWAQFKIQWNQRWGRRPSNRSARAAAAAAEAGDIPIYICHQELRNEPANNQGEESAEIIPLNIIEQESSA
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names CALCR
UniProt_ID P30988
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CAC253
Peptide_Sequence CLGRLSQELHRLQTYPRTNTGSNTYC
Peptide_Length 26
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method Side chain cyclization; C1<->C27; disulfide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3012.37
Aliphatic_Index 60.00000
Aromaticity 0.07692
Average_Rotatable_Bonds 3.73077
Charge_at_pH_7 1.96501
Isoelectric_point 8.77974
Number_of_Hydrogen_Bond_Acceptors 46
Number_of_Hydrogen_Bond_Donors 51
Topological_Polar_Surface_Area 1367.91000
X_logP_energy -18.36209
Interaction Information
Affinity IC50=0.3 uM
Affinity_Assay in-cell Western cAMP assay
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title BRAIN PENETRANT AMYLIN RECEPTOR BASED PEPTIDES FOR ALZHEIMER'S DISEASE
Release_Year 2018
Patent_ID US20180134763A1