PPIPT02702

Target Protein Information
Protein_Name Catenin beta-1
Protein_Sequence MATQADLMELDMAMEPDRKAAVSHWQQQSYLDSGIHSGATTTAPSLSGKGNPEEEDVDTSQVLYEWEQGFSQSFTQEQVADIDGQYAMTRAQRVRAAMFPETLDEGMQIPSTQFDAAHPTNVQRLAEPSQMLKHAVVNLINYQDDAELATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLFRMSEDKPQDYKKRLSVELTSSLFRTEPMAWNETADLGLDIGAQGEPLGYRQDDPSYRSFHSGGYGQDALGMDPMMEHEMGGHHPGADYPVDGLPDLGHAQDLMDGLPPGDSNQLAWFDTDL
Organism_Source Homo sapiens
Functional_Classification Transcriptional co-activator (Wnt signaling pathway)
Cellular_Localization Cytoplasm
Gene_Names CTNNB1
UniProt_ID P35222
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SEQ ID NO:181
Peptide_Sequence HXRSLXTLRXIQRX
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O
Chemical_Modification X2=N-methylglutamine; X6=N-methylglutamine; X10=Cyclohexylalanine; X14=2-naphthylalanine
Cyclization_Method Side chain-side chain cyclization; X10<-->X14; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification free
C-terminal_Modification free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1507.72
Aliphatic_Index 83.57143
Aromaticity 0.00000
Average_Rotatable_Bonds 3.71429
Charge_at_pH_7 3.08888
Isoelectric_point 12.80107
Hydrogen_Bond_Acceptors 22
Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 739.55000
X_logP_energy -10.24119
Interaction Information
Affinity IC50=4460 nM
Affinity_Assay Wnt reporter gene assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title BCL9 Peptides and Variants Thereof
Release_Year 2020
Patent_ID US20200262867A1