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Related entries of code: 4zj8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4zjcRCSB PDB    PDBbind553aa, >4ZJC_1|Chain... 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 ID4zj8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman OX1 orexin receptor (hOX1R-PGS)
Ligand NameSUV
EC.Number E.C.-.-.-.-
Resolution 2.75(Å)
Affinity (Kd/Ki/IC50)Ki=0.55nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat.Struct.Mol.Biol. Vol. 23: pp. 293-299
Ligand Properties
Formula C23H23ClN6O2
Molecular Weight 450.921
Exact Mass 450.157
No. of atoms 55
No. of bonds 59
Polar Surface Area 80.29
LOGP Value 4.91      (Computed with XLOGP3)
4.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): O43613  Q9V2J8  
Entrez Gene IDNCBI Entrez Gene ID: 3061  1494962  
ASDInformation of known allosteric effects of PDB entries

 
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