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Related entries of code: 5hk1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5hk2RCSB PDB    PDBbind227aa, >5HK2_1|Chains... at 100%
6dk1RCSB PDB    PDBbind227aa, >6DK1_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 ID5hk1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman sigma-1 receptor
Ligand Name61W
EC.Number E.C.-.-.-.-
Resolution 2.51(Å)
Affinity (Kd/Ki/IC50)Ki=4.3nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nature Vol. 532: pp. 527-530
Ligand Properties
Formula C18H25N2O
Molecular Weight 285.404
Exact Mass 285.197
No. of atoms 46
No. of bonds 48
Polar Surface Area 30.47
LOGP Value 3.90      (Computed with XLOGP3)
4.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
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): Q99720  
Entrez Gene IDNCBI Entrez Gene ID: 10280  
ASDInformation of known allosteric effects of PDB entries

 
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