Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 3
LigandBDBM50356635
Substrate/Competitorn/a
Meas. Tech.ChEMBL_864738 (CHEMBL2175005)
IC50 128±n/a nM
Citation Vaidya, ASNeelarapu, RMadriaga, ABai, HMendonca, EAbdelkarim, Hvan Breemen, RBBlond, SYPetukhov, PA Novel histone deacetylase 8 ligands without a zinc chelating group: exploring an 'upside-down' binding pose. Bioorg Med Chem Lett22:6621-7 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 3
Name:Histone deacetylase 3
Synonyms:HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45
Type:Enzyme
Mol. Mass.:48829.55
Organism:Homo sapiens (Human)
Description:O15379
Residue:428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCR
FHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNN
KICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEA
FYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVI
NQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTV
RNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQ
TIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDN
DKESDVEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50356635
n/a
NameBDBM50356635
Synonyms:CHEMBL1914708
TypeSmall organic molecule
Emp. Form.C19H24N10O3
Mol. Mass.440.4591
SMILESONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: