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Related entries of code: 5j1w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5j1vRCSB PDB    PDBbind339aa, >5J1V_1|Chains... at 99%
5x8iRCSB PDB    PDBbind346aa, >5X8I_1|Chains... *
6ft8RCSB PDB    PDBbind339aa, >6FT8_1|Chain... at 99%
6ft9RCSB PDB    PDBbind339aa, >6FT9_1|Chains... at 99%
6g33RCSB PDB    PDBbind339aa, >6G33_2|Chains... at 99%
6q8pRCSB PDB    PDBbind339aa, >6Q8P_1|Chains... at 99%
6q8kRCSB PDB    PDBbind339aa, >6Q8K_1|Chain... at 99%
6i5iRCSB PDB    PDBbind339aa, >6I5I_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5j1w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDual specificity protein kinase, human CLK1
Ligand Name6FB
EC.Number E.C.2.7.12.1
Resolution 2.42(Å)
Affinity (Kd/Ki/IC50)IC50=0.19uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Eur.J.Med.Chem. Vol. 118: pp. 170-177
Ligand Properties
Formula C11H8N4
Molecular Weight 196.208
Exact Mass 196.075
No. of atoms 23
No. of bonds 25
Polar Surface Area 64.69
LOGP Value 1.37      (Computed with XLOGP3)
2.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 0
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): P49759  
Entrez Gene IDNCBI Entrez Gene ID: 1195  
ASDInformation of known allosteric effects of PDB entries
 
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