PPIPT01105

Target Protein Information
Protein_Name Apoptosis regulator Bcl-2
Protein_Sequence MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Organism_Source Homo sapiens
Functional_Classification Bcl-2 family anti-apoptotic protein
Cellular_Localization Mitochondria
Gene_Names BCL2
UniProt_ID P10415
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SAHB3A
Peptide_Sequence EDIIRNIRHLQVGDSNDRSIW
Peptide_Length 21
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[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@@H](C)CC)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Chemical_Modification X7=u,u-disubstituted alkenyl; X14=u,u-disubstituted alkenyl
Cyclization_Method Main chain-side chain cyclization; X7<->X14; other bonds
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2536.79
Aliphatic_Index 106.66667
Aromaticity 0.04762
Average_Rotatable_Bonds 4.09524
Charge_at_pH_7 -0.90800
Isoelectric_point 5.57022
Number_of_Hydrogen_Bond_Acceptors 35
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1194.42000
X_logP_energy -12.61839
Interaction Information
Affinity KD=38.8 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title STABILIZED ALPHA HELICAL PEPTIDES AND USES THEREOF
Release_Year 2012
Patent_ID US20120082636A1