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Related entries of code: 3iw4
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3iw4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein kinase C alpha type
Ligand NameLW4
EC.Number E.C.2.7.11.13
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=2.1nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 6193-6196
Ligand Properties
Formula C25H23N6O2
Molecular Weight 439.489
Exact Mass 439.188
No. of atoms 56
No. of bonds 61
Polar Surface Area 95.42
LOGP Value 2.62      (Computed with XLOGP3)
2.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
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): P17252  
Entrez Gene IDNCBI Entrez Gene ID: 5578  
ASDInformation of known allosteric effects of PDB entries

 
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