PPIRE03678

Target Protein Information
Protein_Name Bcl-2-like protein 1
Protein_Sequence MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
Organism_Source Homo sapiens
Functional_Classification E3 ubiquitin ligase adaptors
Cellular_Localization Mitochondrion
Gene_Names BCL2L1
UniProt_ID Q07817
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bid-BH3 peptide
Peptide_Sequence QEDIIRNIARHLAQVGDSMDRSIPPG
Peptide_Length 26
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](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=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)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Other
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2889.24
Aliphatic_Index 93.84615
Aromaticity 0.00000
Average_Rotatable_Bonds 3.69231
Charge_at_pH_7 -0.90800
Isoelectric_Point 5.57022
Number_of_Hydrogen_Bond_Acceptors 41
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1306.55000
X_logP_energy -15.09159
Interaction Information
Affinity KD=41 nM
Affinity_Assay Bio-Layer Interferometry
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Characterization of the stereochemical structures of 2H-thiazolo[3,2-a]pyrimidine compounds and their binding affinities for anti-apoptotic Bcl-2 family proteins.
Release_Year 2021
PMID 23794243
DOI 10.1002/cmdc.201300159