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Related entries of code: 2in6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1x8bRCSB PDB    PDBbind289aa, >1X8B:A|PDBID|CHAIN|... *
2io6RCSB PDB    PDBbind287aa, >2IO6:A|PDBID|CHAIN|... at 99%
3bi6RCSB PDB    PDBbind287aa, >3BI6:A|PDBID|CHAIN|... at 99%
3bizRCSB PDB    PDBbind287aa, >3BIZ:A|PDBID|CHAIN|... at 99%
5v5yRCSB PDB    PDBbind289aa, >5V5Y:A|PDBID|CHAIN|... at 99%
5vc3RCSB PDB    PDBbind289aa, >5VC3:A|PDBID|CHAIN|... at 99%
5vc4RCSB PDB    PDBbind289aa, >5VC4:A|PDBID|CHAIN|... at 99%
5vc5RCSB PDB    PDBbind289aa, >5VC5:A|PDBID|CHAIN|... at 99%
5vc6RCSB PDB    PDBbind289aa, >5VC6:A|PDBID|CHAIN|... at 99%
5vd2RCSB PDB    PDBbind289aa, >5VD2:A|PDBID|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 ID2in6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameWee1-like protein kinase
Ligand Name839
EC.Number E.C.2.7.10.2
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=0.023uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Eur. J. Med. Chem. 2007, 1-21.
Ligand Properties
Formula C23H16N2O5
Molecular Weight 400.384
Exact Mass 400.106
No. of atoms 46
No. of bonds 50
Polar Surface Area 112.39
LOGP Value 3.72      (Computed with XLOGP3)
3.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P30291  
Entrez Gene IDNCBI Entrez Gene ID: 7465  
ASDInformation of known allosteric effects of PDB entries

 
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