Browse entries in the PDBbind-CN Database

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Related entries of code: 5i40
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4uitRCSB PDB    PDBbind106aa, >4UIT_1|Chain... at 99%
4uiuRCSB PDB    PDBbind106aa, >4UIU_1|Chain... at 99%
4uivRCSB PDB    PDBbind106aa, >4UIV_1|Chain... at 99%
4uiwRCSB PDB    PDBbind106aa, >4UIW_1|Chain... at 99%
4xy8RCSB PDB    PDBbind123aa, >4XY8_1|Chain... *
4z6hRCSB PDB    PDBbind123aa, >4Z6H_1|Chains... at 100%
4z6iRCSB PDB    PDBbind123aa, >4Z6I_1|Chains... at 100%
5eu1RCSB PDB    PDBbind123aa, >5EU1_1|Chains... at 100%
5f1hRCSB PDB    PDBbind123aa, >5F1H_1|Chains... at 100%
5f1lRCSB PDB    PDBbind123aa, >5F1L_1|Chains... at 100%
5f25RCSB PDB    PDBbind123aa, >5F25_1|Chains... at 100%
5f2pRCSB PDB    PDBbind123aa, >5F2P_1|Chains... at 100%
5i7xRCSB PDB    PDBbind101aa, >5I7X_1|Chain... at 100%
5i7yRCSB PDB    PDBbind101aa, >5I7Y_1|Chain... at 100%
5igmRCSB PDB    PDBbind123aa, >5IGM_1|Chains... at 100%
5ji8RCSB PDB    PDBbind111aa, >5JI8_1|Chain... at 92%
5mkyRCSB PDB    PDBbind106aa, >5MKY_1|Chain... at 99%
6bqaRCSB PDB    PDBbind102aa, >6BQA_1|Chain... 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 ID5i40
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBromodomain-containing protein 9, BRD9
Ligand Name67N
EC.Number E.C.-.-.-.-
Resolution 1.04(Å)
Affinity (Kd/Ki/IC50)IC50=13.7uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 5391-5402
Ligand Properties
Formula C8H8N2O
Molecular Weight 148.162
Exact Mass 148.064
No. of atoms 19
No. of bonds 20
Polar Surface Area 37.79
LOGP Value 0.64      (Computed with XLOGP3)
0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): Q9H8M2  
Entrez Gene IDNCBI Entrez Gene ID: 65980  
ASDInformation of known allosteric effects of PDB entries
 
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