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Related entries of code: 4c94
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4c94
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFRA A 3 ALLERGEN
Ligand NameKXN
EC.Number E.C.-.-.-.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Kd=8.9uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2013) J.Biol.Chem. Vol. 288: pp. 35322-35332
Ligand Properties
Formula C15H14O6
Molecular Weight 290.268
Exact Mass 290.079
No. of atoms 35
No. of bonds 37
Polar Surface Area 110.38
LOGP Value 1.42      (Computed with XLOGP3)
1.55      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): D0E0C7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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