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Related entries of code: 1x8b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2in6RCSB PDB    PDBbind287aa, >2IN6:A|PDBID|CHAIN|... at 99%
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 ID1x8b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namekinase domain of human Wee1-like protein kinase
Ligand Name824
EC.Number E.C.2.7.10.2
Resolution 1.81(Å)
Affinity (Kd/Ki/IC50)IC50=97nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference(2009) Eur. J. Med. Chem., Vol.44, pp.1383-1395
Ligand Properties
Formula C20H12N2O3
Molecular Weight 328.321
Exact Mass 328.085
No. of atoms 37
No. of bonds 41
Polar Surface Area 82.79
LOGP Value 2.45      (Computed with XLOGP3)
2.61      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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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