PPIPT01932

Target Protein Information
Protein_Name E3 ubiquitin-protein ligase Mdm2
Protein_Sequence MCNTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVNQQESSDSGTSVSENRCHLEGGSDQKDLVQELQEEKPSSSHLVSRPSTSSRRRAISETEENSDELSGERQRKRHKSDSISLSFDESLALCVIREICCERSSSSESTGTPSNPDLDAGVSEHSGDWLDQDSVSDQFSVEFEVESLDSEDYSLSEEGQELSDEDDEVYQVTVYQAGESDTDSFEEDPEISLADYWKCTSCNEMNPPLPSHCNRCWALRENWLPEDKGKDKGEISEKAKLENSTQAEEGFDVPDCKKTIVNDSRESCVEENDDKITQASQSQESEDYSQPSTSSSIIYSSQEDVKEFEREETQDKEESVESSLPLNAIEPCVICQGRPKNGCIVHGKTGHLMACFTCAKKLKKRNKPCPVCRQPIQMIVLTYFP
Organism_Source Homo sapiens
Functional_Classification E3 ubiquitin ligase
Cellular_Localization Nucleus
Gene_Names MDM2
UniProt_ID Q00987
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name sMTide-02
Peptide_Sequence TSFXEYWALLX
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
Chemical_Modification X4=(R)-2-(7'-octenyl)alanine; X11=(S)-2-(4-pentenyl)alanine
Cyclization_Method Side chain cyclization; X4<->X11; other bonds
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1243.38
Aliphatic_Index 80.00000
Aromaticity 0.27273
Average_Rotatable_Bonds 3.27273
Charge_at_pH_7 -1.00109
Isoelectric_point 3.84998
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 468.10000
X_logP_energy -2.22590
Interaction Information
Affinity KD=16.33 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title PEPTIDES AND METHODS FOR TREATING CANCER
Release_Year 2015
Patent_ID US20150246946A1