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Related entries of code: 2fj0
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
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2fj0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namejuvenile hormone esterase
Ligand NameTFC
EC.Number E.C.3.1.1.1
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=22nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v45 pp. 4045-57, 2006
Ligand Properties
Formula C11H21F3OS
Molecular Weight 258.344
Exact Mass 258.127
No. of atoms 37
No. of bonds 36
Polar Surface Area 45.53
LOGP Value 4.79      (Computed with XLOGP3)
4.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 0
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): Q9GPG0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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