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Related entries of code: 4i9o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4i9o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCREB-binding protein
Ligand NameKI1
EC.Number E.C.2.3.1.48
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=1.9uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Am.Chem.Soc. Vol. 135: pp. 3363-3366
Ligand Properties
Formula C15H17ClF3NO2S
Molecular Weight 367.814
Exact Mass 367.062
No. of atoms 40
No. of bonds 41
Polar Surface Area 79.34
LOGP Value 2.61      (Computed with XLOGP3)
3.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
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): P45481  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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