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Related entries of code: 4w9x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4w9wRCSB PDB    PDBbind306aa, >4W9W_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4w9x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBMP-2-inducible protein kinase (BIKE)
Ligand Name3JW
EC.Number E.C.2.7.11.1
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)Kd=39.8nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Structure Vol. 24: pp. 401-411
Ligand Properties
Formula C16H17N7O2S
Molecular Weight 371.417
Exact Mass 371.116
No. of atoms 43
No. of bonds 46
Polar Surface Area 128.94
LOGP Value -0.46      (Computed with XLOGP3)
2.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
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): Q9NSY1  
Entrez Gene IDNCBI Entrez Gene ID: 55589  
ASDInformation of known allosteric effects of PDB entries

 
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