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Related entries of code: 3sff
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1t69RCSB PDB    PDBbind377aa, >1T69_1|Chain... at 100%
1w22RCSB PDB    PDBbind377aa, >1W22_1|Chains... at 100%
2v5xRCSB PDB    PDBbind388aa, >2V5X_1|Chains... at 99%
3f07RCSB PDB    PDBbind388aa, >3F07_1|Chains... at 100%
3f0rRCSB PDB    PDBbind388aa, >3F0R_1|Chains... at 100%
3mz3RCSB PDB    PDBbind389aa, >3MZ3_1|Chains... *
3mz6RCSB PDB    PDBbind389aa, >3MZ6_1|Chain... at 99%
3sfhRCSB PDB    PDBbind378aa, >3SFH_1|Chain... at 99%
4rn0RCSB PDB    PDBbind389aa, >4RN0_1|Chains... at 99%
4rn1RCSB PDB    PDBbind389aa, >4RN1_1|Chains... at 99%
4rn2RCSB PDB    PDBbind389aa, >4RN2_1|Chains... at 99%
5fcwRCSB PDB    PDBbind383aa, >5FCW_1|Chains... at 100%
5vi6RCSB PDB    PDBbind372aa, >5VI6_1|Chain... at 99%
6hskRCSB PDB    PDBbind380aa, >6HSK_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3sff
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Histone deacetylase 8, HDAC8
Ligand Name0DI
EC.Number E.C.3.5.1.98
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=200nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg.Med.Chem. Vol. 19: pp. 4626-4634
Ligand Properties
Formula C20H21ClF2N3O2
Molecular Weight 408.849
Exact Mass 408.129
No. of atoms 49
No. of bonds 51
Polar Surface Area 68.26
LOGP Value 2.56      (Computed with XLOGP3)
1.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
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): Q9BY41  
Entrez Gene IDNCBI Entrez Gene ID: 55869  
ASDInformation of known allosteric effects of PDB entries
 
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