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Related entries of code: 4ijp
Entries with 90% protein sequence similarity cutoff in PDBbind
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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 ID4ijp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PRP4 homolog
Ligand Name1EH
EC.Number E.C.2.7.11.1
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=0.016uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Biol.Chem. Vol. 288: pp. 30125-30138
Ligand Properties
Formula C20H14ClN3O2S2
Molecular Weight 427.927
Exact Mass 427.022
No. of atoms 42
No. of bonds 45
Polar Surface Area 141.56
LOGP Value 4.49      (Computed with XLOGP3)
5.80      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): Q13523  
Entrez Gene IDNCBI Entrez Gene ID: 8899  
ASDInformation of known allosteric effects of PDB entries

 
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