Browse entries in the PDBbind-CN Database

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Related entries of code: 1x78
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%
1x7bRCSB PDB    PDBbind13aa, >1X7B_2|Chains... at 100%
1yy4RCSB PDB    PDBbind13aa, >1YY4_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
1x7eRCSB PDB    PDBbind244

Entry Information
PDB ID1x78
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameestrogen receptor beta
Ligand Name244
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=14.0nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v126 pp. 15106-19, 2004
Ligand Properties
Formula C16H11NO3
Molecular Weight 265.263
Exact Mass 265.074
No. of atoms 31
No. of bonds 33
Polar Surface Area 77.39
LOGP Value 2.93      (Computed with XLOGP3)
3.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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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