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Related entries of code: 4hyu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ukhRCSB PDB    PDBbind11aa, >1UKH:B|PDBID|CHAIN|... *
2g01RCSB PDB    PDBbind11aa, >2G01:G|PDBID|CHAIN|... at 100%
2gmxRCSB PDB    PDBbind11aa, >2GMX:G|PDBID|CHAIN|... at 100%
2h96RCSB PDB    PDBbind11aa, >2H96:G|PDBID|CHAIN|... at 100%
2no3RCSB PDB    PDBbind11aa, >2NO3:G|PDBID|CHAIN|... at 100%
3ptgRCSB PDB    PDBbind11aa, >3PTG:J|PDBID|CHAIN|... at 100%
3v3vRCSB PDB    PDBbind11aa, >3V3V:B|PDBID|CHAIN|... at 100%
4hysRCSB PDB    PDBbind11aa, >4HYS:B|PDBID|CHAIN|... at 100%
4izyRCSB PDB    PDBbind11aa, >4IZY:B|PDBID|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 ID4hyu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase 8
Ligand Name1BK
EC.Number E.C.2.7.11.24
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)IC50=6.2nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 1486-1492
Ligand Properties
Formula C21H27N5O4S
Molecular Weight 445.535
Exact Mass 445.178
No. of atoms 58
No. of bonds 61
Polar Surface Area 127.61
LOGP Value 2.52      (Computed with XLOGP3)
3.50      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 9
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): Q9UQF2  P45983  
Entrez Gene IDNCBI Entrez Gene ID: 9479  5599  
ASDInformation of known allosteric effects of PDB entries

 
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