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Related entries of code: 6q8k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5j1vRCSB PDB    PDBbind339aa, >5J1V_1|Chains... at 99%
5j1wRCSB PDB    PDBbind339aa, >5J1W_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%
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 ID6q8k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCdc2-like kinase 1 (CLK1)
Ligand NameFG9
EC.Number E.C.2.7.12.1
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)IC50=290nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Eur J Med Chem Vol. 166: pp. 304-317
Ligand Properties
Formula C18H23N6O
Molecular Weight 339.415
Exact Mass 339.193
No. of atoms 48
No. of bonds 51
Polar Surface Area 90.39
LOGP Value 1.38      (Computed with XLOGP3)
2.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P49759  
Entrez Gene IDNCBI Entrez Gene ID: 1195  
ASDInformation of known allosteric effects of PDB entries
 
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