Browse entries in the PDBbind-CN Database

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Related entries of code: 4e20
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4e1zRCSB PDB    PDBbind291aa, >4E1Z_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 ID4e20
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNon-receptor tyrosine-protein kinase TYK2
Ligand Name0MY
EC.Number E.C.2.7.10.2
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=6nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bmc Struct.Biol. Vol. 12: pp. 22-22
Ligand Properties
Formula C19H15ClN4O2S
Molecular Weight 398.866
Exact Mass 398.060
No. of atoms 42
No. of bonds 45
Polar Surface Area 109.25
LOGP Value 3.98      (Computed with XLOGP3)
6.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): Q9R117  
Entrez Gene IDNCBI Entrez Gene ID: 54721  
ASDInformation of known allosteric effects of PDB entries

 
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