Related entries of code: 4flp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4kcxRCSB PDB    PDBbind117aa, >4kcx_B... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3mxfRCSB PDB    PDBbindJQ1
4qzsRCSB PDB    PDBbindJQ1

Entry Information
PDB ID4flp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBromodomain testis-specific protein(first bromodomain (UNP residues 21-137))
Ligand NameJQ1
EC.Number E.C.-.-.-.-
Resolution 2.23(Å)
Affinity (Kd/Ki/IC50)Kd=190.1nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference(2012) Cell(Cambridge,Mass.) Vol. 150: pp. 673-684
Ligand Properties
Formula C23H25ClN4O2S
Molecular Weight 456.988
Exact Mass 456.139
No. of atoms 56
No. of bonds 59
Polar Surface Area 97.61
LOGP Value 4.85      (Computed with XLOGP3)
4.97      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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
ASDInformation of known allosteric effects of PDB entries

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