Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 3
LigandBDBM22449
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1506755
Ki 544±n/a nM
Citation Carrillo AKGuiguemde WAGuy RK Evaluation of histone deacetylase inhibitors (HDACi) as therapeutic leads for human African trypanosomiasis (HAT). Bioorg Med Chem 23:5151-5 (2015) [PubMed]
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:
BDBM22449
n/a
NameBDBM22449
Synonyms:CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-N -hydroxyoctanediamide | Tubacin | US9249087, Tubastatin A
TypeSmall organic molecule
Emp. Form.C41H43N3O7S
Mol. Mass.721.861
SMILESOCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: