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Related entries of code: 3dy6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3gwxRCSB PDB    PDBbind271aa, >3GWX_1|Chains... at 100%
3gz9RCSB PDB    PDBbind269aa, >3GZ9_1|Chain... at 99%
3peqRCSB PDB    PDBbind271aa, >3PEQ_1|Chains... at 100%
3tkmRCSB PDB    PDBbind275aa, >3TKM_1|Chain... *
5xmxRCSB PDB    PDBbind275aa, >5XMX_1|Chains... at 100%
5zxiRCSB PDB    PDBbind275aa, >5ZXI_1|Chains... 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 ID3dy6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Peroxisome proliferator-activated receptor (PPAR-delta)
Ligand NameDY6
EC.Number E.C.-.-.-.-
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=126nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Bioorg. Med. Chem. Lett., Vol.18, pp.5018-5022
Ligand Properties
Formula C23H20N2O5S
Molecular Weight 436.480
Exact Mass 436.109
No. of atoms 51
No. of bonds 54
Polar Surface Area 112.16
LOGP Value 4.60      (Computed with XLOGP3)
4.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): Q03181  
Entrez Gene IDNCBI Entrez Gene ID: 5467  
ASDInformation of known allosteric effects of PDB entries

 
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