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Related entries of code: 5jzn
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
PDB CodeCheck DatabaseLigand Name
2xb7RCSB PDB    PDBbindGUI
4e93RCSB PDB    PDBbindGUI

Entry Information
PDB ID5jzn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman DCLK1 kinase domain
Ligand NameGUI
EC.Number E.C.2.7.11.1
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)IC50=1084nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Structure Vol. 24: pp. 1-12
Ligand Properties
Formula C30H42ClN7O3S
Molecular Weight 616.218
Exact Mass 615.276
No. of atoms 84
No. of bonds 88
Polar Surface Area 113.71
LOGP Value 5.67      (Computed with XLOGP3)
6.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): O15075  
Entrez Gene IDNCBI Entrez Gene ID: 9201  
ASDInformation of known allosteric effects of PDB entries

 
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