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Related entries of code: 3txo
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 ID3txo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein kinase C eta type
Ligand Name07U
EC.Number E.C.2.7.11.13
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=9nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference(2011) Bioorg.Med.Chem.Lett. Vol. 21: pp. 7367-7372
Ligand Properties
Formula C17H20N5
Molecular Weight 294.374
Exact Mass 294.172
No. of atoms 42
No. of bonds 44
Polar Surface Area 78.34
LOGP Value 1.62      (Computed with XLOGP3)
2.20      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
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): P24723  
Entrez Gene IDNCBI Entrez Gene ID: 5583  
ASDInformation of known allosteric effects of PDB entries

 
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