PPIRE17906

Target Protein Information
Protein_Name Bcl-2-like protein 1
Protein_Sequence MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Organism_Source Homo sapiens
Functional_Classification Bcl 2 family
Cellular_Localization Mitochondria
Gene_Names BCL2L1
UniProt_ID Q07817
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name BIM-MM
Peptide_Sequence WIAQELRXIGDXFNAYYARR
Peptide_Length 20
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](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification X=a-pentenylglycine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2356.63
Aliphatic_Index 73.50000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 0.99850
Isoelectric_Point 9.17050
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 37
Topological_Polar_Surface_Area 1018.95000
X_logP_energy -8.16479
Interaction Information
Affinity KD=460 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID 5C3G
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Hydrocarbon constrained peptides - understanding preorganisation and binding affinity
Release_Year 2016
PMID 28970875
DOI 10.1039/c5sc04048e