Browse entries in the PDBbind-CN Database

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Related entries of code: 6fyi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5unpRCSB PDB    PDBbind369aa, >5UNP_1|Chains... *
6fykRCSB PDB    PDBbind363aa, >6FYK_1|Chains... at 99%
6fylRCSB PDB    PDBbind363aa, >6FYL_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ngaRCSB PDB    PDBbind3NG
3pe1RCSB PDB    PDBbind3NG
5o11RCSB PDB    PDBbind3NG
6fylRCSB PDB    PDBbind3NG
6fypRCSB PDB    PDBbind3NG
6fyvRCSB PDB    PDBbind3NG
6k3lRCSB PDB    PDBbind3NG
6jz0RCSB PDB    PDBbind3NG

Entry Information
PDB ID6fyi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDual specificity protein kinase CLK2
Ligand Name3NG
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=200nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ChemMedChem Vol. 13: pp. 1997-2007
Ligand Properties
Formula C13H16NO2S
Molecular Weight 250.337
Exact Mass 250.090
No. of atoms 33
No. of bonds 34
Polar Surface Area 59.47
LOGP Value 2.44      (Computed with XLOGP3)
3.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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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