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Related entries of code: 1rdt
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1rdt
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameretinoic acid receptor rxr-alpha
Ligand NameL79
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=200nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v47 pp. 2010-29, 2004
Ligand Properties
Formula C25H28O3
Molecular Weight 376.488
Exact Mass 376.204
No. of atoms 56
No. of bonds 59
Polar Surface Area 50.44
LOGP Value 7.98      (Computed with XLOGP3)
6.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
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): P37231  Q92793  Q15788  P19793  
Entrez Gene IDNCBI Entrez Gene ID: 5468  1387  8648  6256  
ASDInformation of known allosteric effects of PDB entries

 
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