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Related entries of code: 4g17
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g16RCSB PDB    PDBbind330aa, >4G16_1|Chain... *
4hglRCSB PDB    PDBbind330aa, >4HGL_1|Chain... at 100%
4hgsRCSB PDB    PDBbind330aa, >4HGS_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 ID4g17
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCasein kinase I isoform gamma-3
Ligand Name0VN
EC.Number E.C.2.7.11.1
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=0.029uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 5392-5395
Ligand Properties
Formula C18H18N4
Molecular Weight 290.362
Exact Mass 290.153
No. of atoms 40
No. of bonds 42
Polar Surface Area 64.5
LOGP Value 4.75      (Computed with XLOGP3)
4.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): Q9Y6M4  
Entrez Gene IDNCBI Entrez Gene ID: 1456  
ASDInformation of known allosteric effects of PDB entries

 
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