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Related entries of code: 5h08
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5h08
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameReceptor-type tyrosine-protein phosphatase zeta
Ligand Name7WL
EC.Number E.C.-.-.-.-
Resolution 2.53(Å)
Affinity (Kd/Ki/IC50)Kd=1.1uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Sci Rep Vol. 7: pp. 5609-5609
Ligand Properties
Formula C21H18F3NO4S3
Molecular Weight 501.562
Exact Mass 501.035
No. of atoms 50
No. of bonds 52
Polar Surface Area 134.39
LOGP Value 5.57      (Computed with XLOGP3)
7.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 5
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): P23471  
Entrez Gene IDNCBI Entrez Gene ID: 5803  
ASDInformation of known allosteric effects of PDB entries

 
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