PPIRE04862

Target Protein Information
Protein_Name L-lactate dehydrogenase A chain
Protein_Sequence MATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQKELQF
Organism_Source Homo sapiens
Functional_Classification dehydrogenases
Cellular_Localization Cytoplasm
Gene_Names LDHA
UniProt_ID P00338
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Compound 5c
Peptide_Sequence FLFL
Peptide_Length 4
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
Chemical_Modification Nalpha-dipicolinoyl; N -4-bromophenylmethylidene hydrazide
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Dipicolinoyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 538.69
Aliphatic_Index 195.00000
Aromaticity 0.50000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 -0.00202
Isoelectric_Point 6.10000
Number_of_Hydrogen_Bond_Acceptors 5
Number_of_Hydrogen_Bond_Donors 5
Topological_Polar_Surface_Area 150.62000
X_logP_energy 2.43030
Interaction Information
Affinity IC50=60.54 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 4ZVV
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Chiral Pyridine-3,5-bis- (L-phenylalaninyl-L-leucinyl)Schiff Base Peptides as Potential Anticancer Agents: Design, Synthesis, and Molecular Docking Studies Targeting Lactate Dehydrogenase-A.
Release_Year 2020
PMID 32121469
DOI 10.3390/molecules25051096