Literature summary for 4.1.1.45 extracted from

Pellicciari, R.; Liscio, P.; Giacche, N.; De Franco, F.; Carotti, A.; Robertson, J.; Cialabrini, L.; Katsyuba, E.; Raffaelli, N.; Auwerx, J.
alpha-Amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD) inhibitors as novel modulators of de novo nicotinamide adenine dinucleotide (NAD+) biosynthesis (2018), J. Med. Chem., 61, 745-759 .

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Cloned(Commentary)

Cloned (Comment)	Organism
expression in Pichia pastoris	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular docking of inhibitor 3-[[[5-cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]phenylacetic acid. The 2-thiophene ring fits the hydrophobic cleft defined by the Trp191 and Met180 residues	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
3-[[[5-cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]phenylacetic acid	potent and selective inhibitor. Treatment of primary hepatocytes significantly increases intracellular NAD+ levels. compound exhibits good solubility with low permeability of cells and no inhibition of cytochrome P450s	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q8TDX5	-	-

Synonyms

Synonyms	Comment	Organism
ACMSD	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000013	-	37°C, pH not specified in the publication	Homo sapiens	3-[[[5-cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]phenylacetic acid

General Information

General Information	Comment	Organism
physiological function	ACMSD inhibition increases de novo NAD+ biosynthesis	Homo sapiens

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Release 2023.1 (January 2023)