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Literature summary for 3.5.1.98 extracted from

  • Terracciano, S.; Chini, M.G.; Riccio, R.; Bruno, I.; Bifulco, G.
    Design, synthesis, and biological activity of hydroxamic tertiary amines as histone deacetylase inhibitors (2012), ChemMedChem, 7, 694-702.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
modeling studies using inhibitor 6-[(9H-fluoren-3-ylmethyl)(3-phenoxybenzyl)amino]-N-hydroxyhexanamide and histone deacetylase-like protein, PDB ID: 1C3R. Inhibitor fills the equivalent space at the protein surface and occupies the catalytic binding site, coordinating the fundamental zinc ion Aquifex aeolicus

Inhibitors

Inhibitors Comment Organism Structure
6-[(9H-fluoren-3-ylmethyl)(3-phenoxybenzyl)amino]-N-hydroxyhexanamide simultaneous and efficient interactions of compound with both the enzyme surface and the tubular binding pocket, through proper selection of its arm groups, are critical for potential antagonist activity Aquifex aeolicus
6-[(9H-fluoren-3-ylmethyl)(3-phenoxybenzyl)amino]-N-hydroxyhexanamide
-
Homo sapiens
6-[(biphenyl-4-ylmethyl)[4-[(4-bromobenzyl)oxy]benzyl]amino]-N-hydroxyhexanamide
-
Homo sapiens
6-[[4-[(4-bromobenzyl)oxy]benzyl](9H-fluoren-3-ylmethyl)amino]-N-hydroxyhexanamide
-
Homo sapiens
trichostatin A
-
Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
nucleus
-
Homo sapiens 5634
-

Organism

Organism UniProt Comment Textmining
Aquifex aeolicus O67135
-
-
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HeLa cell
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Fluor de Lys + H2O
-
Homo sapiens ?
-
?
Fluor de Lys + H2O
-
Aquifex aeolicus ?
-
?

Synonyms

Synonyms Comment Organism
HDLP
-
Aquifex aeolicus
histone deacetylase-like protein
-
Aquifex aeolicus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000022
-
HDAC activity in HeLa nuclear cell extracts, 25°C, pH 8.0 Homo sapiens trichostatin A
0.00007
-
HDAC activity in HeLa nuclear cell extracts, 25°C, pH 8.0 Homo sapiens 6-[(9H-fluoren-3-ylmethyl)(3-phenoxybenzyl)amino]-N-hydroxyhexanamide
0.00017
-
HDAC activity in HeLa nuclear cell extracts, 25°C, pH 8.0 Homo sapiens 6-[(biphenyl-4-ylmethyl)[4-[(4-bromobenzyl)oxy]benzyl]amino]-N-hydroxyhexanamide
0.00018
-
HDAC activity in HeLa nuclear cell extracts, 25°C, pH 8.0 Homo sapiens 6-[[4-[(4-bromobenzyl)oxy]benzyl](9H-fluoren-3-ylmethyl)amino]-N-hydroxyhexanamide