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Related entries of code: 5vom
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5vom
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBromodomain-containing protein 4
Ligand Name9GY
EC.Number E.C.-.-.-.-
Resolution 1.67(Å)
Affinity (Kd/Ki/IC50)IC50=0.79uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Med Chem Lett Vol. 8: pp. 847-852
Ligand Properties
Formula C24H23N3O4
Molecular Weight 417.457
Exact Mass 417.169
No. of atoms 54
No. of bonds 57
Polar Surface Area 82.86
LOGP Value 2.81      (Computed with XLOGP3)
4.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): O60885  
Entrez Gene IDNCBI Entrez Gene ID: 23476  
ASDInformation of known allosteric effects of PDB entries
 
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