PPIRE13181

Target Protein Information
Protein_Name Apoptosis regulator Bcl-2
Protein_Sequence MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family
Cellular_Localization Mitochondrion
Gene_Names BCL2
UniProt_ID P10415
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bid BH3 peptide
Peptide_Sequence EDIIRNIARHLAQVGDSMDR
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Fitc-Ahx
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2309.59
Aliphatic_Index 102.50000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -0.90800
Isoelectric_Point 5.57022
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 38
Topological_Polar_Surface_Area 1086.21000
X_logP_energy -11.94809
Interaction Information
Affinity IC50=1.21 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Gambogic acid is an antagonist of antiapoptotic Bcl-2 family proteins.
Release_Year 2008
PMID 18566235
DOI 10.1158/1535-7163.MCT-07-2373