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Related entries of code: 6g3o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3maxRCSB PDB    PDBbind367aa, >3MAX_1|Chains... at 93%
4lxzRCSB PDB    PDBbind369aa, >4LXZ_1|Chains... at 93%
4ly1RCSB PDB    PDBbind369aa, >4LY1_1|Chains... at 93%
5iwgRCSB PDB    PDBbind368aa, >5IWG_1|Chains... at 93%
5ix0RCSB PDB    PDBbind369aa, >5IX0_1|Chains... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6g3o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone deacetylase 2
Ligand NameEL8
EC.Number E.C.-.-.-.-
Resolution 2.27(Å)
Affinity (Kd/Ki/IC50)Ki=0.58nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Lett. Vol. 28: pp. 2985-2992
Ligand Properties
Formula C18H20F3N3O5
Molecular Weight 415.364
Exact Mass 415.136
No. of atoms 49
No. of bonds 50
Polar Surface Area 116.76
LOGP Value 2.96      (Computed with XLOGP3)
3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): Q92769  
Entrez Gene IDNCBI Entrez Gene ID: 3066  
ASDInformation of known allosteric effects of PDB entries

 
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