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Related entries of code: 2h96
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ukhRCSB PDB    PDBbind11aa, >1UKH_2|Chain... *
2g01RCSB PDB    PDBbind11aa, >2G01_2|Chains... at 100%
2gmxRCSB PDB    PDBbind11aa, >2GMX_2|Chains... at 100%
2no3RCSB PDB    PDBbind11aa, >2NO3_2|Chains... at 100%
3ptgRCSB PDB    PDBbind11aa, >3PTG_2|Chain... at 100%
3v3vRCSB PDB    PDBbind11aa, >3V3V_2|Chain... at 100%
4hysRCSB PDB    PDBbind11aa, >4HYS_2|Chain... at 100%
4hyuRCSB PDB    PDBbind11aa, >4HYU_2|Chain... at 100%
4izyRCSB PDB    PDBbind11aa, >4IZY_2|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 ID2h96
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemitogen-activated protein kinase 8
Ligand Name893
EC.Number E.C.2.7.11.24
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=0.23uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v49;pp.4455-4458
Ligand Properties
Formula C18H19N3O4
Molecular Weight 341.361
Exact Mass 341.138
No. of atoms 44
No. of bonds 45
Polar Surface Area 93.47
LOGP Value 2.29      (Computed with XLOGP3)
2.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P45983  Q9UQF2  
Entrez Gene IDNCBI Entrez Gene ID: 5599  9479  
ASDInformation of known allosteric effects of PDB entries
 
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