Browse entries in the PDBbind-CN Database

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Related entries of code: 2jj3
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%
1u9eRCSB PDB    PDBbind241aa, >1U9E_1|Chains... at 99%
2giuRCSB PDB    PDBbind241aa, >2GIU_1|Chain... at 98%
2i0gRCSB PDB    PDBbind257aa, >2I0G_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
2qe4RCSB PDB    PDBbindJJ3

Entry Information
PDB ID2jj3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameESTROGEN RECEPTOR BETA
Ligand NameJJ3
EC.Number E.C.-.-.-.-
Resolution 2.28(Å)
Affinity (Kd/Ki/IC50)Ki=0.28nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. 17: 5082
Ligand Properties
Formula C20H22O4
Molecular Weight 326.386
Exact Mass 326.152
No. of atoms 46
No. of bonds 49
Polar Surface Area 58.92
LOGP Value 3.66      (Computed with XLOGP3)
4.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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): Q92731  
Entrez Gene IDNCBI Entrez Gene ID: 2100  
ASDInformation of known allosteric effects of PDB entries

 
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