Browse entries in the PDBbind-CN Database

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Related entries of code: 4kcx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4flpRCSB PDB    PDBbind119aa, >4FLP_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4o70RCSB PDB    PDBbind1QK
5l2wRCSB PDB    PDBbind1QK
6gu6RCSB PDB    PDBbind1QK

Entry Information
PDB ID4kcx
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBromodomain testis-specific protein
Ligand Name1QK
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=37uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Chem.Biol. Vol. 8: pp. 2360-2365
Ligand Properties
Formula C21H29N6O2
Molecular Weight 397.494
Exact Mass 397.235
No. of atoms 58
No. of bonds 61
Polar Surface Area 93.74
LOGP Value 2.60      (Computed with XLOGP3)
2.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): Q58F21  
Entrez Gene IDNCBI Entrez Gene ID: 676  
ASDInformation of known allosteric effects of PDB entries

 
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