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Related entries of code: 5y94
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bjxRCSB PDB    PDBbind153aa, >4BJX_1|Chain... *
5cp5RCSB PDB    PDBbind141aa, >5CP5_1|Chain... at 92%
5cqtRCSB PDB    PDBbind141aa, >5CQT_1|Chain... at 92%
5cy9RCSB PDB    PDBbind141aa, >5CY9_1|Chain... at 92%
5d0cRCSB PDB    PDBbind141aa, >5D0C_1|Chain... at 92%
5h21RCSB PDB    PDBbind139aa, >5H21_1|Chain... at 94%
5wuuRCSB PDB    PDBbind139aa, >5WUU_1|Chain... at 94%
5y8cRCSB PDB    PDBbind139aa, >5Y8C_1|Chain... at 92%
5y8wRCSB PDB    PDBbind141aa, >5Y8W_1|Chain... at 92%
5y8yRCSB PDB    PDBbind141aa, >5Y8Y_1|Chain... at 92%
5y8zRCSB PDB    PDBbind141aa, >5Y8Z_1|Chain... at 92%
5y93RCSB PDB    PDBbind141aa, >5Y93_1|Chain... at 92%
5z1tRCSB PDB    PDBbind141aa, >5Z1T_1|Chain... at 92%
5z1sRCSB PDB    PDBbind141aa, >5Z1S_1|Chain... at 92%
5z1rRCSB PDB    PDBbind141aa, >5Z1R_1|Chain... at 92%
5yqxRCSB PDB    PDBbind140aa, >5YQX_1|Chain... at 92%
5lrqRCSB PDB    PDBbind143aa, >5LRQ_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5y94
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBromodomain-containing protein 4
Ligand Name8QC
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=164nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 3037-3058
Ligand Properties
Formula C16H16BrN3O4S
Molecular Weight 426.285
Exact Mass 425.004
No. of atoms 41
No. of bonds 43
Polar Surface Area 101.84
LOGP Value 3.28      (Computed with XLOGP3)
4.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): O60885  
Entrez Gene IDNCBI Entrez Gene ID: 23476  
ASDInformation of known allosteric effects of PDB entries
 
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