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Related entries of code: 3v49
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xowRCSB PDB    PDBbind11aa, >1XOW_2|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3v49
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAndrogen receptor
Ligand NamePK0
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)IC50=9.6nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 8225-8235
Ligand Properties
Formula C19H16F3N3O3
Molecular Weight 391.344
Exact Mass 391.114
No. of atoms 44
No. of bonds 46
Polar Surface Area 84.7
LOGP Value 2.84      (Computed with XLOGP3)
3.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P10275  
Entrez Gene IDNCBI Entrez Gene ID: 367  
ASDInformation of known allosteric effects of PDB entries
 
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