PPIRE12333

Target Protein Information
Protein_Name Apoptosis regulator Bcl-2
Protein_Sequence MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family proteins
Cellular_Localization Mitochondrion
Gene_Names BCL2
UniProt_ID P10415
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bak BH3 peptide
Peptide_Sequence GQVGRQLAIIGDDINR
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1724.94
Aliphatic_Index 121.87500
Aromaticity 0.00000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 -0.00113
Isoelectric_Point 6.45000
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 827.49000
X_logP_energy -9.69286
Interaction Information
Affinity IC50=0.3 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A novel Bcl-2 small molecule inhibitor 4-(3-methoxy-phenylsulfannyl)-7-nitro-benzofurazan-3-oxide (MNB)-induced apoptosis in leukemia cells.
Release_Year 2007
PMID 17396262
DOI 10.1007/s00277-007-0288-4