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Related entries of code: 3kdu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1i7gRCSB PDB    PDBbind287aa, >1I7G_1|Chain... *
3kdtRCSB PDB    PDBbind277aa, >3KDT_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3kdu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameperoxisome proliferator-activatedeceptor alpha (PPARalpha)
Ligand NameNKS
EC.Number E.C.-.-.-.-
Resolution 2.07(Å)
Affinity (Kd/Ki/IC50)IC50=347nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 2854-2864
Ligand Properties
Formula C28H25ClN2O6
Molecular Weight 520.961
Exact Mass 520.140
No. of atoms 62
No. of bonds 65
Polar Surface Area 102.1
LOGP Value 6.63      (Computed with XLOGP3)
6.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): Q07869  
Entrez Gene IDNCBI Entrez Gene ID: 5465  
ASDInformation of known allosteric effects of PDB entries

 
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