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Related entries of code: 4j51
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4j51
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein phosphatase non-receptor type 22
Ligand NameN75
EC.Number E.C.3.1.3.48
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=0.259uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 4990-5008
Ligand Properties
Formula C28H20ClNO6
Molecular Weight 501.915
Exact Mass 501.098
No. of atoms 56
No. of bonds 60
Polar Surface Area 109
LOGP Value 7.31      (Computed with XLOGP3)
5.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): Q9Y2R2  
Entrez Gene IDNCBI Entrez Gene ID: 26191  
ASDInformation of known allosteric effects of PDB entries
 
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