PPIRE13473

Target Protein Information
Protein_Name Bcl-2-like protein 1
Protein_Sequence MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family
Cellular_Localization Mitochondrion
Gene_Names BCL2L1
UniProt_ID Q07817
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bad BH3 peptide
Peptide_Sequence NLWAAQRYGRELRRMSDEFVD
Peptide_Length 21
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2612.91
Aliphatic_Index 60.47619
Aromaticity 0.14286
Average_Rotatable_Bonds 4.14286
Charge_at_pH_7 0.00156
Isoelectric_Point 6.62164
Number_of_Hydrogen_Bond_Acceptors 35
Number_of_Hydrogen_Bond_Donors 43
Topological_Polar_Surface_Area 1184.55000
X_logP_energy -10.95292
Interaction Information
Affinity IC50=3.7 uM
Affinity_Assay GST pull-down assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Peptides derived from BH3 domains of Bcl-2 family members: a comparative analysis of inhibition of Bcl-2, Bcl-x(L)and Bax oligomerization, induction of cytochrome c release, and activation of cell death.
Release_Year 2002
PMID 12135371
DOI 10.1021/bi025605h