Browse entries in the PDBbind-CN Database

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Related entries of code: 5wqc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ws3RCSB PDB    PDBbind560aa, >5WS3_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ws3RCSB PDB    PDBbind7MA

Entry Information
PDB ID5wqc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameOrexin receptor type 2
Ligand Name7MA
EC.Number E.C.-.-.-.-
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)Ki=1.1nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Structure Vol. 26: pp. 7-19.e5
Ligand Properties
Formula C23H26N4O4S
Molecular Weight 454.542
Exact Mass 454.167
No. of atoms 58
No. of bonds 60
Polar Surface Area 101.08
LOGP Value 2.55      (Computed with XLOGP3)
4.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
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): O43614  Q9V2J8  
Entrez Gene IDNCBI Entrez Gene ID: 3062  1494962  
ASDInformation of known allosteric effects of PDB entries

 
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