Browse entries in the PDBbind-CN Database

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Related entries of code: 4o9s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1erbRCSB PDB    PDBbind183aa, >1ERB_1|Chain... at 92%
1rbpRCSB PDB    PDBbind182aa, >1RBP_1|Chain... at 100%
3fmzRCSB PDB    PDBbind212aa, >3FMZ_1|Chains... at 100%
4psqRCSB PDB    PDBbind212aa, >4PSQ_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 ID4o9s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRetinol-binding protein 4 RBP4
Ligand Name2RY
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=0.28uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 2885-2891
Ligand Properties
Formula C22H21F3N4OS
Molecular Weight 446.489
Exact Mass 446.139
No. of atoms 52
No. of bonds 56
Polar Surface Area 77.57
LOGP Value 4.45      (Computed with XLOGP3)
4.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P02753  
Entrez Gene IDNCBI Entrez Gene ID: 5950  
ASDInformation of known allosteric effects of PDB entries

 
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