Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 3
LigandBDBM50143891
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1551212 (CHEMBL3761793)
IC50 1.6±n/a nM
Citation Ghosh, BZhao, WNReis, SAPatnaik, DFass, DMTsai, LHMazitschek, RHaggarty, SJ Dissecting structure-activity-relationships of crebinostat: Brain penetrant HDAC inhibitors for neuroepigenetic regulation. Bioorg Med Chem Lett26:1265-71 (2016) [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:
BDBM50143891
n/a
NameBDBM50143891
Synonyms:CHEMBL3758735
TypeSmall organic molecule
Emp. Form.C18H21N3O3S
Mol. Mass.359.443
SMILESONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cccs1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: