Browse entries in the PDBbind-CN Database

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Related entries of code: 4eyj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4eymRCSB PDB    PDBbind371aa, >4EYM_1|Chain... at 100%
5eknRCSB PDB    PDBbind371aa, >5EKN_1|Chain... at 100%
5ekoRCSB PDB    PDBbind371aa, >5EKO_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 ID4eyj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 13
Ligand NameN61
EC.Number E.C.2.7.11.24
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=620nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Clin.Invest. Vol. 122: pp. 4555-4568
Ligand Properties
Formula C20H23N5O2
Molecular Weight 365.429
Exact Mass 365.185
No. of atoms 50
No. of bonds 52
Polar Surface Area 81.07
LOGP Value 3.30      (Computed with XLOGP3)
4.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): O15264  
Entrez Gene IDNCBI Entrez Gene ID: 5603  
ASDInformation of known allosteric effects of PDB entries

 
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