PPIPT00084

Target Protein Information
Protein_Name Apoptosis regulator BAX
Protein_Sequence MDGSGEQPRGGGPTSSEQIMKTGALLLQGFIQDRAGRMGGEAPELALDPVPQDASTKKLSECLKRIGDELDSNMELQRMIAAVDTDSPREVFFRVAADMFSDGNFNWGRVVALFYFASKLVLKALCTKVPELIRTIMGWTLDFLRERLLGWIQDQGGWDGLLSYFGTPTWQTVTIFVAGVLTASLTIWKKMG
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family pro-apoptotic protein
Cellular_Localization Cytoplasm
Gene_Names BAX
UniProt_ID Q07812
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name BCL-2 BH4 SAHBA
Peptide_Sequence EIVMKYIHYKLSQRGYEWDA
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2529.90
Aliphatic_Index 78.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 4.15000
Charge_at_pH_7 0.08975
Isoelectric_point 7.52697
Number_of_Hydrogen_Bond_Acceptors 34
Number_of_Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 1010.54000
X_logP_energy -4.67373
Interaction Information
Affinity KD=4.6 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title BH4 STABILIZED PEPTIDES AND USES THEREOF
Release_Year 2019
Patent_ID US20190092822A1