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Related entries of code: 5n16
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5n17RCSB PDB    PDBbind138aa, >5N17_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5n16
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBromodomain-containing factor 1
Ligand Name8FN
EC.Number E.C.-.-.-.-
Resolution 1.76(Å)
Affinity (Kd/Ki/IC50)Kd=5uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Nat Commun Vol. 8: pp. 15482-15482
Ligand Properties
Formula C22H15N5O2S
Molecular Weight 413.452
Exact Mass 413.095
No. of atoms 45
No. of bonds 50
Polar Surface Area 110.31
LOGP Value 3.08      (Computed with XLOGP3)
4.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
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): Q5A4W8  
Entrez Gene IDNCBI Entrez Gene ID: 3641592  
ASDInformation of known allosteric effects of PDB entries
 
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