Literature summary for 3.5.1.98 extracted from

Suzuki, T.; Nagano, Y.; Kouketsu, A.; Matsuura, A.; Maruyama, S.; Kurotaki, M.; Nakagawa, H.; Miyata, N.
Novel Inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates (2005), J. Med. Chem., 48, 1019-1032.

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Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular modelling of structure of isoform HDAC8 in complex with suberoylanilide hydroxamic acid and with 7-mercapto-N-phenylheptanamide	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
6-mercapto-N-phenylhexanamide	-	Homo sapiens
6-[(1-(mercaptomethyl)vinyl)amino]-N-phenylhexanamide	-	Homo sapiens
7-mercapto-N-(2-phenyl-1,3-thiazol-5-yl)heptanamide	-	Homo sapiens
7-mercapto-N-(3-phenoxyphenyl)heptanamide	-	Homo sapiens
7-mercapto-N-phenylheptanamide	thiol formed by enzymatic hydrolysis in the cell reacts with the zinc ion in the active site of histone deacetylase. Molecular modeling of complex with histone HDAC8	Homo sapiens
7-mercapto-N-pyridin-3-ylheptanamide	-	Homo sapiens
7-mercapto-N-quinolin-3-ylheptanamide	-	Homo sapiens
N-(6-mercaptohexyl)-1-benzofuran-2-carboxamide	-	Homo sapiens
N-(6-mercaptohexyl)-1H-indole-2-carboxamide	-	Homo sapiens
N-(6-mercaptohexyl)-2-naphthamide	-	Homo sapiens
N-(6-mercaptohexyl)benzamide	-	Homo sapiens
N-biphenyl-3-yl-7-mercaptoheptanamide	-	Homo sapiens
N1-methyl-2-oxo-N9-phenylnonanediamide	-	Homo sapiens
S-[7-oxo-7-(2-phenyl1,3-thiazol-5-ylamino)heptyl] 2-methylpropanethioate	analysis of growth inhibition of various cancer cells and comparison with suberoylanilide hydroxamic acid	Homo sapiens
suberoylanilide hydroxamic acid	-	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9BY41	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
HeLa cell	nuclear extract rich in histine deacetylase activity	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
RHK(acetyl)K(acetyl)-fluorophore + H2O	i.e. Fluor de Lys, fluorogenic substrate	Homo sapiens	RHKK-fluorophore + acetate	-	?

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0007	-	7-mercapto-N-phenylheptanamide	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000072	-	37°C	Homo sapiens	7-mercapto-N-quinolin-3-ylheptanamide
0.000075	-	37°C	Homo sapiens	N-biphenyl-3-yl-7-mercaptoheptanamide
0.000079	-	37°C	Homo sapiens	N-(6-mercaptohexyl)-1-benzofuran-2-carboxamide
0.000085	-	37°C	Homo sapiens	N-(6-mercaptohexyl)-2-naphthamide
0.0001	-	37°C	Homo sapiens	N-(6-mercaptohexyl)-1H-indole-2-carboxamide
0.00011	-	37°C	Homo sapiens	7-mercapto-N-pyridin-3-ylheptanamide
0.00017	-	37°C	Homo sapiens	7-mercapto-N-(2-phenyl-1,3-thiazol-5-yl)heptanamide
0.00021	-	37°C	Homo sapiens	7-mercapto-N-phenylheptanamide
0.00021	-	37°C	Homo sapiens	7-mercapto-N-(3-phenoxyphenyl)heptanamide
0.00028	-	37°C	Homo sapiens	suberoylanilide hydroxamic acid
0.00034	-	37°C	Homo sapiens	N1-methyl-2-oxo-N9-phenylnonanediamide
0.00036	-	37°C	Homo sapiens	N-(6-mercaptohexyl)benzamide
0.00037	-	37°C	Homo sapiens	6-mercapto-N-phenylhexanamide
0.00039	-	37°C	Homo sapiens	6-[(1-(mercaptomethyl)vinyl)amino]-N-phenylhexanamide

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Release 2023.1 (January 2023)