Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 9
LigandBDBM50044637
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1450061 (CHEMBL3373902)
IC50 57±n/a nM
Citation Tashima, TMurata, HKodama, H Design and synthesis of novel and highly-active pan-histone deacetylase (pan-HDAC) inhibitors. Bioorg Med Chem22:3720-31 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 9
Name:Histone deacetylase 9
Synonyms:HD9 | HDAC7 | HDAC7B | HDAC9 | HDAC9_HUMAN | HDRP | Histone acetylase 9 (HDAC9) | Histone deacetylase 7B | Histone deacetylase 9 (HDAC9) | Histone deacetylase-related protein | Human HDAC9 | KIAA0744 | MITR
Type:Enzyme
Mol. Mass.:111304.31
Organism:Homo sapiens (Human)
Description:Q9UKV0
Residue:1011
Sequence:
MHSMISSVDVKSEVPVGLEPISPLDLRTDLRMMMPVVDPVVREKQLQQELLLIQQQQQIQ
KQLLIAEFQKQHENLTRQHQAQLQEHIKELLAIKQQQELLEKEQKLEQQRQEQEVERHRR
EQQLPPLRGKDRGRERAVASTEVKQKLQEFLLSKSATKDTPTNGKNHSVSRHPKLWYTAA
HHTSLDQSSPPLSGTSPSYKYTLPGAQDAKDDFPLRKTASEPNLKVRSRLKQKVAERRSS
PLLRRKDGNVVTSFKKRMFEVTESSVSSSSPGSGPSSPNNGPTGSVTENETSVLPPTPHA
EQMVSQQRILIHEDSMNLLSLYTSPSLPNITLGLPAVPSQLNASNSLKEKQKCETQTLRQ
GVPLPGQYGGSIPASSSHPHVTLEGKPPNSSHQALLQHLLLKEQMRQQKLLVAGGVPLHP
QSPLATKERISPGIRGTHKLPRHRPLNRTQSAPLPQSTLAQLVIQQQHQQFLEKQKQYQQ
QIHMNKLLSKSIEQLKQPGSHLEEAEEELQGDQAMQEDRAPSSGNSTRSDSSACVDDTLG
QVGAVKVKEEPVDSDEDAQIQEMESGEQAAFMQQPFLEPTHTRALSVRQAPLAAVGMDGL
EKHRLVSRTHSSPAASVLPHPAMDRPLQPGSATGIAYDPLMLKHQCVCGNSTTHPEHAGR
IQSIWSRLQETGLLNKCERIQGRKASLEEIQLVHSEHHSLLYGTNPLDGQKLDPRILLGD
DSQKFFSSLPCGGLGVDSDTIWNELHSSGAARMAVGCVIELASKVASGELKNGFAVVRPP
GHHAEESTAMGFCFFNSVAITAKYLRDQLNISKILIVDLDVHHGNGTQQAFYADPSILYI
SLHRYDEGNFFPGSGAPNEVGTGLGEGYNINIAWTGGLDPPMGDVEYLEAFRTIVKPVAK
EFDPDMVLVSAGFDALEGHTPPLGGYKVTAKCFGHLTKQLMTLADGRVVLALEGGHDLTA
ICDASEACVNALLGNELEPLAEDILHQSPNMNAVISLQKIIEIQSMSLKFS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50044637
n/a
NameBDBM50044637
Synonyms:CHEMBL3309298
TypeSmall organic molecule
Emp. Form.C22H31N3O4
Mol. Mass.401.4992
SMILESCC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CCC(=O)NO)CC1 |r,wU:17.18,wD:20.22,(21.54,-26.71,;22.32,-28.05,;23.08,-26.71,;23.66,-28.82,;23.66,-30.36,;24.99,-31.13,;22.32,-31.13,;20.98,-30.36,;19.66,-31.13,;18.32,-30.36,;18.32,-28.82,;19.66,-28.05,;20.98,-28.82,;16.99,-28.05,;16.99,-26.51,;15.65,-28.82,;14.32,-28.05,;12.98,-28.82,;12.99,-30.37,;11.64,-31.14,;10.31,-30.36,;8.97,-31.12,;7.64,-30.35,;6.3,-31.11,;6.3,-32.65,;4.97,-30.34,;3.64,-31.1,;10.32,-28.82,;11.65,-28.05,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: