Reaction Details Report a problem with these data
Target
Histone deacetylase 8
Ligand
BDBM50583619
Substrate
n/a
Meas. Tech.
ChEMBL_2157809 (CHEMBL5042559)
IC50
155±n/a nM
Citation
 Olaoye, OO; Watson, PR; Nawar, N; Geletu, M; Sedighi, A; Bukhari, S; Raouf, YS; Manaswiyoungkul, P; Erdogan, F; Abdeldayem, A; Cabral, AD; Hassan, MM; Toutah, K; Shouksmith, AE; Gawel, JM; Israelian, J; Radu, TB; Kachhiyapatel, N; de Araujo, ED; Christianson, DW; Gunning, PT Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype. J Med Chem 64:2691-2704 (2021) [PubMed]  Article 
Target
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:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
  
Inhibitor
Name:
BDBM50583619
Synonyms:
CHEMBL5092466
Type:
Small organic molecule
Emp. Form.:
C21H16F4N2O4S
Mol. Mass.:
468.421
SMILES:
ONC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
Structure:
Search PDB for entries with ligand similarity: