Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 8
LigandBDBM50044638
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1450059 (CHEMBL3373321)
IC50 21±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 8
Name:Histone deacetylase 8
Synonyms:HD8 | HDAC8 | HDAC8_HUMAN | HDACL1 | Histone deacetylase 8 (HDAC-8) | Human HDAC8
Type:Enzyme
Mol. Mass.:41749.60
Organism:Homo sapiens (Human)
Description:Q9BY41
Residue:377
Sequence:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPK
VASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATI
TAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLH
HGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKY
YQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLI
LGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPH
RIQQILNYIKGNLKHVV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50044638
n/a
NameBDBM50044638
Synonyms:CHEMBL3309299
TypeSmall organic molecule
Emp. Form.C22H29N3O4
Mol. Mass.399.4834
SMILESCC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@H](CC1)\C=C\C(=O)NO |r,wU:17.18,20.25,(21.18,-34.58,;21.96,-35.93,;22.72,-34.58,;23.3,-36.7,;23.3,-38.24,;24.63,-39.01,;21.96,-39.01,;20.62,-38.24,;19.3,-39.01,;17.96,-38.24,;17.96,-36.7,;19.3,-35.93,;20.62,-36.7,;16.63,-35.93,;16.63,-34.39,;15.3,-36.7,;13.96,-35.93,;12.62,-36.7,;12.63,-38.24,;11.28,-39.01,;9.95,-38.24,;9.96,-36.69,;11.29,-35.93,;8.61,-39,;7.28,-38.22,;5.94,-38.99,;5.94,-40.53,;4.61,-38.21,;3.28,-38.97,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: