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Related entries of code: 1u9e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ndeRCSB PDB    PDBbind255aa, >1NDE_1|Chain... at 93%
1u3qRCSB PDB    PDBbind240aa, >1U3Q_1|Chains... at 99%
2giuRCSB PDB    PDBbind241aa, >2GIU_1|Chain... at 98%
2i0gRCSB PDB    PDBbind257aa, >2I0G_1|Chains... at 94%
2jj3RCSB PDB    PDBbind257aa, >2JJ3_1|Chains... at 94%
2nv7RCSB PDB    PDBbind238aa, >2NV7_1|Chains... at 100%
2qtuRCSB PDB    PDBbind257aa, >2QTU_1|Chains... at 94%
2z4bRCSB PDB    PDBbind257aa, >2Z4B_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1u9e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameestrogen receptor beta
Ligand Name397
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=5.7nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v126 pp. 15106-19, 2004
Ligand Properties
Formula C14H10O3
Molecular Weight 226.227
Exact Mass 226.063
No. of atoms 27
No. of bonds 29
Polar Surface Area 53.6
LOGP Value 3.28      (Computed with XLOGP3)
3.51      (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: 3
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  
Entrez Gene IDNCBI Entrez Gene ID: 2100  
ASDInformation of known allosteric effects of PDB entries

 
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