Literature summary for 2.3.1.B43 extracted from

Liu, S.; Ji, S.; Yu, Z.J.; Wang, H.L.; Cheng, X.; Li, W.J.; Jing, L.; Yu, Y.; Chen, Q.; Yang, L.L.; Li, G.B.; Wu, Y.
Structure-based discovery of new selective small-molecule sirtuin 5 inhibitors (2018), Chem. Biol. Drug Des., 91, 257-268 .

Search for more literature for 2.3.1.B43

Cloned(Commentary)

Cloned (Comment)	Organism
gene SIRT5, recombinant expression of N-terminally His-tagged enzyme in Escherichia coli strain Transetta(DE3)	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]-N-(3,4-dimethylphenyl)propanamide	-	Homo sapiens
2-cyano-N-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]propanamide	-	Homo sapiens
3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carboxylic acid	21.54% inhibition at 0.1 mM	Homo sapiens
3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid	30.85% inhibition at 0.1 mM	Homo sapiens
3-hydroxy-5-(morpholine-4-sulfonyl)naphthalene-2-carboxylic acid	9.2% inhibition at 0.1 mM	Homo sapiens
3-hydroxy-5-[(prop-2-en-1-yl)sulfamoyl]naphthalene-2-carboxylic acid	17.43% inhibition at 0.1 mM	Homo sapiens
3-[3-[5-(4-carboxyphenyl)furan-2-yl]-2-cyanopropanamido]benzoic acid	-	Homo sapiens
3-[5-[2-cyano-3-(3,4-dimethylanilino)-3-oxopropyl]furan-2-yl]benzoic acid	-	Homo sapiens
4-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid	18.70% inhibition at 0.1 mM	Homo sapiens
4-(5-[(Z)-[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl]furan-2-yl)benzoic acid	94.3% inhibition at 0.1 mM	Homo sapiens
4-(5-[2-cyano-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-oxopropyl]furan-2-yl)benzoic acid	-	Homo sapiens
4-(5-[2-cyano-3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-yl)benzoic acid	-	Homo sapiens
4-(5-[2-cyano-3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropyl]furan-2-yl)benzoic acid	-	Homo sapiens
4-(5-[3-[(2H-1,3-benzodioxol-5-yl)amino]-2-cyano-3-oxopropyl]furan-2-yl)benzoic acid	-	Homo sapiens
4-(5-[3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyano-3-oxopropyl]furan-2-yl)benzoic acid	-	Homo sapiens
4-(6-tert-butyl-2H-1,3-benzoxazin-3(4H)-yl)benzoic acid	24.54% inhibition at 0.1 mM	Homo sapiens
4-([(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl]amino)benzoic acid	34.24% inhibition at 0.1 mM	Homo sapiens
4-[(4Z)-3-methyl-5-oxo-4-[(2E)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid	77.26% inhibition at 0.1 mM	Homo sapiens
4-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid	51.3% inhibition at 0.1 mM	Homo sapiens
4-[(E)-(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid	61.3% inhibition at 0.1 mM	Homo sapiens
4-[(E)-[(4-bromo-3-chloro-2-hydroxyphenyl)methylidene]amino]benzoic acid	33.66% inhibition at 0.1 mM	Homo sapiens
4-[5-[(1E)-3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl]benzoic acid	97.14% inhibition at 0.1 mM	Homo sapiens
4-[5-[2-cyano-3-(3,4-dimethoxyanilino)-3-oxopropyl]furan-2-yl]benzoic acid	-	Homo sapiens
4-[5-[2-cyano-3-(3,4-dimethylanilino)-3-oxopropyl]furan-2-yl]-3-fluorobenzoic acid	-	Homo sapiens
4-[5-[2-cyano-3-(3,4-dimethylanilino)-3-oxopropyl]furan-2-yl]-3-methylbenzoic acid	-	Homo sapiens
4-[5-[2-cyano-3-(3,4-dimethylanilino)-3-oxopropyl]furan-2-yl]benzoic acid	-	Homo sapiens
4-[5-[2-cyano-3-(3,5-dichloroanilino)-3-oxopropyl]furan-2-yl]benzoic acid	-	Homo sapiens
4-[5-[2-cyano-3-(3,5-dimethylanilino)-3-oxopropyl]furan-2-yl]benzoic acid	-	Homo sapiens
4-[5-[2-cyano-3-(4-cyano-3-fluoroanilino)-3-oxopropyl]furan-2-yl]benzoic acid	competitive inhibitor	Homo sapiens
4-[5-[3-(3-acetamidoanilino)-2-cyano-3-oxopropyl]furan-2-yl]benzoic acid	-	Homo sapiens
5-(4-hydroxy-2,2-dimethyloxan-4-yl)-1,2-oxazole-3-carboxylic acid	17.41% inhibition at 0.1 mM	Homo sapiens
5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid	11.08% inhibition at 0.1 mM	Homo sapiens
5-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4H-pyrazole-3-carboxylic acid	70.03% inhibition at 0.1 mM	Homo sapiens
6-carboxy-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-4,4a-dihydrothieno[2,3-d]pyrimidin-3-ium	15.43% inhibition at 0.1 mM	Homo sapiens
7-(diethylamino)-2-oxo-2H-1-benzopyran-3-carboxylic acid	28.91% inhibition at 0.1 mM	Homo sapiens
methyl 4-[5-[2-cyano-3-(3,4-dimethylanilino)-3-oxopropyl]furan-2-yl]benzoate	-	Homo sapiens
additional information	no inhibition by (2E)-4,4-dihydroxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]but-2-enamide; structure-based discovery of selective small-molecul sirtuin 5 inhibitors. Synthesis of (E)-2-cyano-N-phenyl-3-(5-phenylfuran-2-yl)acrylamide derivatives/analogues, docking study, structure-activity relationship analyses, overview. No inhibition by 14 at 0.1 mM	Homo sapiens
nicotinamide	NAM, 70.57% inhibition at 0.1 mM	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9NXA8	-	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant N-terminally His-tagged enzyme from Escherichia coli strain Transetta(DE3) by nickel affinity chromatography, tag cleavage by TEV protease, and ultrafiltration	Homo sapiens

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
NAD+ + benzyl-(N6-succinyl)Lys-7-amido-4-methylcoumarin	fluorogenic substrate	Homo sapiens	nicotinamide + benzyl-Lys-7-amido-4-methylcoumarin + 2'-O-succinyl-ADP-ribose	-	?

Synonyms

Synonyms	Comment	Organism
SIRT5	-	Homo sapiens
sirtuin 5	-	Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	assay at	Homo sapiens

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
8	-	assay at	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
NAD+	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0457	-	pH 8.0, 37°C, recombinant enzyme	Homo sapiens	nicotinamide