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Target
Histone deacetylase 8
Ligand
BDBM50399672
Substrate
n/a
Meas. Tech.
ChEMBL_1742912 (CHEMBL4158662)
Kd
82±n/a nM
Citation
 Marek, M; Shaik, TB; Heimburg, T; Chakrabarti, A; Lancelot, J; Ramos-Morales, E; Da Veiga, C; Kalinin, D; Melesina, J; Robaa, D; Schmidtkunz, K; Suzuki, T; Holl, R; Ennifar, E; Pierce, RJ; Jung, M; Sippl, W; Romier, C Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J Med Chem 61:10000-10016 (2018) [PubMed]  Article 
Target
Name:
Histone deacetylase 8
Synonyms:
HDAC8 | Histone deacetylase 8
Type:
PROTEIN
Mol. Mass.:
49771.73
Organism:
Schistosoma mansoni
Description:
ChEMBL_116785
Residue:
440
Sequence:
MSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDSPSRMYEAVTAFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNYDCPGFPSVFDYSLAAVQGSLAAASALICRHCEVVINWGGGWHHAKRSEASGFCYLNDIVLAIHRLVSSTPPETSPNRQTRVLYVDLDLHHGDGVEEAFWYSPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRGRFSAFNLPLEEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTNFYPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARLWTRVTALTIEEVKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNKTLDSIQKHHRRILEQLRNYADLNKLIYDYDQVYQLYNLTGM
  
Inhibitor
Name:
BDBM50399672
Synonyms:
CHEMBL2178342
Type:
Small organic molecule
Emp. Form.:
C16H14N4O2S
Mol. Mass.:
326.373
SMILES:
ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Structure:
Search PDB for entries with ligand similarity: