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Related entries of code: 2q8g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2q8hRCSB PDB    PDBbind407aa, >2Q8H_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2q8g
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate dehydrogenase kinase (PDK1) isoforms
Ligand NameAZX
EC.Number E.C.2.7.11.2
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=87nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Structure Vol. 15: pp. 992-1004
Ligand Properties
Formula C19H18ClF3N2O5S
Molecular Weight 478.870
Exact Mass 478.058
No. of atoms 49
No. of bonds 50
Polar Surface Area 112.16
LOGP Value 2.67      (Computed with XLOGP3)
4.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q15118  
Entrez Gene IDNCBI Entrez Gene ID: 5163  
ASDInformation of known allosteric effects of PDB entries

 
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