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Related entries of code: 6o2p
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6o2p
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecystic fibrosis transmembrane conductance regulator (CFTR)
Ligand NameVX7
EC.Number E.C.3.6.3.49
Resolution 3.3(Å)
Affinity (Kd/Ki/IC50)Kd=6.6nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Science Vol. 364: pp. 1184-1188
Ligand Properties
Formula C24H28N2O3
Molecular Weight 392.491
Exact Mass 392.210
No. of atoms 57
No. of bonds 59
Polar Surface Area 78.76
LOGP Value 5.13      (Computed with XLOGP3)
4.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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): P13569  
Entrez Gene IDNCBI Entrez Gene ID: 1080  
ASDInformation of known allosteric effects of PDB entries
 
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