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Related entries of code: 5kqg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5kqlRCSB PDB    PDBbind178aa, >5KQL_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 ID5kqg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLow molecular weight phosphotyrosine protein phosphatase (LMW-PTP)
Ligand Name6VX
EC.Number E.C.3.1.3.48
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)IC50=7.1uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. 59 : pp. 9094-9106
Ligand Properties
Formula C15H14N2O4S2
Molecular Weight 350.413
Exact Mass 350.039
No. of atoms 37
No. of bonds 39
Polar Surface Area 156.22
LOGP Value 3.13      (Computed with XLOGP3)
4.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P24666  
Entrez Gene IDNCBI Entrez Gene ID: 52  
ASDInformation of known allosteric effects of PDB entries
 
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