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Related entries of code: 5ek0
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 ID5ek0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Nav1.7-VSD4-NavAb
Ligand Name5P2
EC.Number E.C.-.-.-.-
Resolution 3.53(Å)
Affinity (Kd/Ki/IC50)Ki=20.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Science Vol. 350: pp. aac5464-aac5464
Ligand Properties
Formula C24H21F3N7O3S2
Molecular Weight 576.594
Exact Mass 576.110
No. of atoms 60
No. of bonds 64
Polar Surface Area 163.85
LOGP Value 3.86      (Computed with XLOGP3)
6.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): Q15858  A8EVM5  
Entrez Gene IDNCBI Entrez Gene ID: 6335  
ASDInformation of known allosteric effects of PDB entries
 
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