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Related entries of code: 4e1z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4e20RCSB PDB    PDBbind290aa, >4E20_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 ID4e1z
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNon-receptor tyrosine-protein kinase TYK2
Ligand Name0MX
EC.Number E.C.2.7.10.2
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50<3nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bmc Struct.Biol. Vol. 12: pp. 22-22
Ligand Properties
Formula C24H17ClN4O4S
Molecular Weight 492.934
Exact Mass 492.066
No. of atoms 51
No. of bonds 55
Polar Surface Area 125.47
LOGP Value 4.90      (Computed with XLOGP3)
6.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q9R117  
Entrez Gene IDNCBI Entrez Gene ID: 54721  
ASDInformation of known allosteric effects of PDB entries

 
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