PPIPT02250

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 A-4
Peptide_Sequence FFNRHNNAYYTXGYACLGRLYRLL
Peptide_Length 24
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O
Chemical_Modification X12=(s)-2-amino-6-chlorohex-4-ynoic acid
Cyclization_Method Side chain-side chain cyclization; X12<->C16; thioether bond
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2883.28
Aliphatic_Index 73.33333
Aromaticity 0.25000
Average_Rotatable_Bonds 3.70833
Charge_at_pH_7 3.02351
Isoelectric_point 9.69532
Number_of_Hydrogen_Bond_Acceptors 38
Number_of_Hydrogen_Bond_Donors 44
Topological_Polar_Surface_Area 1177.42000
X_logP_energy -9.36189
Interaction Information
Affinity KD=0.1 nM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title PEPTIDE WITH SAFER SECONDARY STRUCTURE, PEPTIDE LIBRARY, AND PRODUCTION METHODS FOR SAME
Release_Year 2017
Patent_ID US20170247416A1