Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 3
LigandBDBM50027494
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1443002
IC50 1.000000±n/a nM
Citation Giannini GVesci LBattistuzzi GVignola DMilazzo FMGuglielmi MBBarbarino MSantaniello MFantò NMor MRivara SPala DTaddei MPisano CCabri W ST7612AA1, a thioacetate-¿(¿-lactam carboxamide) derivative selected from a novel generation of oral HDAC inhibitors. J Med Chem 57:8358-77 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 3
Name:Histone deacetylase 1/2/3
Synonyms:HD3 | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45
Type:Enzyme
Mol. Mass.:48829.55
Organism:Homo sapiens (Human)
Description:n/a
Residue:428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCR
FHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNN
KICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEA
FYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVI
NQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTV
RNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQ
TIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDN
DKESDVEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50027494
n/a
NameBDBM50027494
Synonyms:CHEMBL3356916
TypeSmall organic molecule
Emp. Form.C20H29N3O3S
Mol. Mass.391.528
SMILESCc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: