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Related entries of code: 1yy4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1u3rRCSB PDB    PDBbind13aa, >1U3R_2|Chains... *
1u3sRCSB PDB    PDBbind13aa, >1U3S_2|Chains... at 100%
1x76RCSB PDB    PDBbind13aa, >1X76_2|Chains... at 100%
1x78RCSB PDB    PDBbind13aa, >1X78_2|Chains... at 100%
1x7bRCSB PDB    PDBbind13aa, >1X7B_2|Chains... at 100%
1yyeRCSB PDB    PDBbind13aa, >1YYE_2|Chains... at 100%
1zafRCSB PDB    PDBbind13aa, >1ZAF_2|Chains... at 100%
3furRCSB PDB    PDBbind12aa, >3FUR_2|Chain... at 91%
3h0aRCSB PDB    PDBbind12aa, >3H0A_3|Chains... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1yy4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameestrogen receptor beta
Ligand Name4NA
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=2.52nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v48 pp. 3953-79, 2005
Ligand Properties
Formula C16H11ClO2
Molecular Weight 270.710
Exact Mass 270.045
No. of atoms 30
No. of bonds 32
Polar Surface Area 40.46
LOGP Value 4.72      (Computed with XLOGP3)
4.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
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): Q92731  Q15788  
Entrez Gene IDNCBI Entrez Gene ID: 2100  8648  
ASDInformation of known allosteric effects of PDB entries

 
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