Browse entries in the PDBbind-CN Database

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Related entries of code: 3imy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1n46RCSB PDB    PDBbind258aa, >1N46_1|Chains... at 100%
1naxRCSB PDB    PDBbind252aa, >1NAX_1|Chain... at 100%
1nq0RCSB PDB    PDBbind263aa, >1NQ0_1|Chain... at 98%
1q4xRCSB PDB    PDBbind253aa, >1Q4X_1|Chain... at 100%
1r6gRCSB PDB    PDBbind259aa, >1R6G_1|Chain... at 99%
1xzxRCSB PDB    PDBbind281aa, >1XZX_1|Chain... *
1y0xRCSB PDB    PDBbind281aa, >1Y0X_1|Chain... at 100%
2j4aRCSB PDB    PDBbind253aa, >2J4A_1|Chain... at 99%
3gwsRCSB PDB    PDBbind259aa, >3GWS_1|Chain... at 100%
3jzcRCSB PDB    PDBbind263aa, >3JZC_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3neeRCSB PDB    PDBbindB72
3nesRCSB PDB    PDBbindB72
Entry Information
PDB ID3imy
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThyroid hormone receptor beta
Ligand NameB72
EC.Number E.C.-.-.-.-
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)Kd=0.2nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J. Med. Chem., Vol.55, pp.5649-5675
Ligand Properties
Formula C20H24O4
Molecular Weight 328.402
Exact Mass 328.167
No. of atoms 48
No. of bonds 49
Polar Surface Area 66.76
LOGP Value 5.79      (Computed with XLOGP3)
4.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): P10828  
Entrez Gene IDNCBI Entrez Gene ID: 7068  
ASDInformation of known allosteric effects of PDB entries
 
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