PPIPT02777

Target Protein Information
Protein_Name NF-kappa-B essential modulator
Protein_Sequence MNRHLWKSQLCEMVQPSGGPAADQDVLGEESPLGKPAMLHLPSEQGAPETLQRCLEENQELRDAIRQSNQILRERCEELLHFQASQREEKEFLMCKFQEARKLVERLGLEKLDLKRQKEQALREVEHLKRCQQQMAEDKASVKAQVTSLLGELQESQSRLEAATKECQALEGRARAASEQARQLESEREALQQQHSVQVDQLRMQGQSVEAALRMERQAASEEKRKLAQLQVAYHQLFQEYDNHIKSSVVGSERKRGMQLEDLKQQLQQAEEALVAKQEVIDKLKEEAEQHKIVMETVPVLKAQADIYKADFQAERQAREKLAEKKELLQEQLEQLQREYSKLKASCQESARIEDMRKRHVEVSQAPLPPAPAYLSSPLALPSQRRSPPEEPPDFCCPKCQYQAPDMDTLQIHVMECIE
Organism_Source Homo sapiens
Functional_Classification IKK complex regulatory protein
Cellular_Localization Cytoplasm
Gene_Names IKBKG
UniProt_ID Q9Y6K9
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RRRRXFCALDWSWLQC
Peptide_Sequence RRRRXFCALDWSWLQC
Peptide_Length 16
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C7<-->C16; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2053.39
Aliphatic_Index 55.00000
Aromaticity 0.18750
Average_Rotatable_Bonds 4.06250
Charge_at_pH_7 2.87447
Isoelectric_point 10.45482
Hydrogen_Bond_Acceptors 26
Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 879.62000
X_logP_energy -7.25032
Interaction Information
Affinity IC50=1.4 uM
Affinity_Assay HTRF assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF
Release_Year 2019
Patent_ID US20190282654A1