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Related entries of code: 4w9w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4w9xRCSB PDB    PDBbind310aa, >4W9X_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2ydjRCSB PDB    PDBbindYDJ

Entry Information
PDB ID4w9w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBMP-2-inducible protein kinase (BIKE)
Ligand NameYDJ
EC.Number E.C.2.7.11.1
Resolution 1.72(Å)
Affinity (Kd/Ki/IC50)Kd=33.1nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Structure Vol. 24: pp. 401-411
Ligand Properties
Formula C17H20FN4O2S
Molecular Weight 363.430
Exact Mass 363.129
No. of atoms 45
No. of bonds 47
Polar Surface Area 129.07
LOGP Value 2.26      (Computed with XLOGP3)
4.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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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