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Related entries of code: 3m2w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kgaRCSB PDB    PDBbind299aa, >3KGA_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3m2w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMAPKAK kinase 2 (MK2)
Ligand NameL8I
EC.Number E.C.2.7.11.1
Resolution 2.41(Å)
Affinity (Kd/Ki/IC50)IC50<3nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 4719-4723
Ligand Properties
Formula C23H20FN4O
Molecular Weight 387.430
Exact Mass 387.162
No. of atoms 49
No. of bonds 54
Polar Surface Area 62.22
LOGP Value 2.95      (Computed with XLOGP3)
3.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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): P49137  
Entrez Gene IDNCBI Entrez Gene ID: 9261  
ASDInformation of known allosteric effects of PDB entries

 
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