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Related entries of code: 5hk9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yx9RCSB PDB    PDBbind301aa, >4YX9_1|Chains... *
5hkaRCSB PDB    PDBbind301aa, >5HKA_1|Chains... at 100%
5hkbRCSB PDB    PDBbind301aa, >5HKB_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5hk9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCFTR inhibitory factor Cif
Ligand Name64O
EC.Number E.C.-.-.-.-
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.29uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 4790-4799
Ligand Properties
Formula C22H19Cl2N3O4
Molecular Weight 460.310
Exact Mass 459.075
No. of atoms 50
No. of bonds 52
Polar Surface Area 113.68
LOGP Value 4.23      (Computed with XLOGP3)
6.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
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): A0A0H2ZD27  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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