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Related entries of code: 3bi6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1x8bRCSB PDB    PDBbind289aa, >1X8B:A|PDBID|CHAIN|... *
2in6RCSB PDB    PDBbind287aa, >2IN6:A|PDBID|CHAIN|... at 99%
2io6RCSB PDB    PDBbind287aa, >2IO6: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 ID3bi6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameWee1-like protein kinase
Ligand Name396
EC.Number E.C.2.7.10.2
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=15nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Bioorg.Med.Chem.Lett. Vol. 18: pp. 929-933
Ligand Properties
Formula C28H26ClN4O4
Molecular Weight 517.983
Exact Mass 517.164
No. of atoms 63
No. of bonds 68
Polar Surface Area 108.63
LOGP Value 4.39      (Computed with XLOGP3)
4.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
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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