Browse entries in the PDBbind-CN Database

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Related entries of code: 4a9n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ydwRCSB PDB    PDBbind153aa, >2YDW_1|Chains... at 100%
2yekRCSB PDB    PDBbind153aa, >2YEK_1|Chains... at 100%
3aqaRCSB PDB    PDBbind128aa, >3AQA_1|Chains... at 95%
4a9iRCSB PDB    PDBbind154aa, >4A9I_1|Chains... *
4a9mRCSB PDB    PDBbind154aa, >4A9M_1|Chains... at 100%
4aknRCSB PDB    PDBbind153aa, >4AKN_1|Chains... at 100%
4algRCSB PDB    PDBbind154aa, >4ALG_1|Chain... at 100%
4uyfRCSB PDB    PDBbind154aa, >4UYF_2|Chains... at 100%
4uyhRCSB PDB    PDBbind154aa, >4UYH_1|Chains... at 100%
6mo9RCSB PDB    PDBbind126aa, >6MO9_1|Chains... at 98%
6mo8RCSB PDB    PDBbind126aa, >6MO8_1|Chains... at 98%
6mo7RCSB PDB    PDBbind126aa, >6MO7_1|Chains... at 98%
6k05RCSB PDB    PDBbind122aa, >6K05_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4a9n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameN-TERMINAL BROMODOMAIN OF HUMAN BRD2
Ligand NameA9N
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=1.5uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 587-596
Ligand Properties
Formula C15H16N2O3S
Molecular Weight 304.364
Exact Mass 304.088
No. of atoms 37
No. of bonds 39
Polar Surface Area 80.58
LOGP Value 2.56      (Computed with XLOGP3)
3.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P25440  
Entrez Gene IDNCBI Entrez Gene ID: 6046  
ASDInformation of known allosteric effects of PDB entries

 
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