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Related entries of code: 1n46
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
3imyRCSB PDB    PDBbind261aa, >3IMY_1|Chain... at 100%
3jzcRCSB PDB    PDBbind263aa, >3JZC_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1n46
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethyroid hormone receptor beta-1
Ligand NamePFA
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.03nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v13 pp. 379-82, 2003
Ligand Properties
Formula C20H21N3O4
Molecular Weight 367.398
Exact Mass 367.153
No. of atoms 48
No. of bonds 50
Polar Surface Area 97.21
LOGP Value 3.86      (Computed with XLOGP3)
3.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P10828  
Entrez Gene IDNCBI Entrez Gene ID: 7068  
ASDInformation of known allosteric effects of PDB entries
 
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