Browse entries in the PDBbind-CN Database

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Related entries of code: 6fyl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5unpRCSB PDB    PDBbind369aa, >5UNP_1|Chains... *
6fyiRCSB PDB    PDBbind368aa, >6FYI_1|Chain... at 99%
6fykRCSB PDB    PDBbind363aa, >6FYK_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ngaRCSB PDB    PDBbind3NG
3pe1RCSB PDB    PDBbind3NG
5o11RCSB PDB    PDBbind3NG
6fyiRCSB PDB    PDBbind3NG
6fypRCSB PDB    PDBbind3NG
6fyvRCSB PDB    PDBbind3NG
6k3lRCSB PDB    PDBbind3NG
6jz0RCSB PDB    PDBbind3NG

Entry Information
PDB ID6fyl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDual specificity protein kinase CLK2
Ligand Name3NG
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=7nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ChemMedChem Vol. 13: pp. 1997-2007
Ligand Properties
Formula C19H12ClN3O2
Molecular Weight 349.770
Exact Mass 349.062
No. of atoms 37
No. of bonds 40
Polar Surface Area 75.11
LOGP Value 5.48      (Computed with XLOGP3)
4.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
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): P49760  
Entrez Gene IDNCBI Entrez Gene ID: 1196  
ASDInformation of known allosteric effects of PDB entries

 
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