Literature summary for 3.6.1.9 extracted from

Ausekle, E.; Ejaz, S.A.; Khan, S.U.; Ehlers, P.; Villinger, A.; Lecka, J.; Sevigny, J.; Iqbal, J.; Langer, P.
New one-pot synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation potent inhibitors of nucleotide pyrophosphatase-1 and -3 (2016), Org. Biomol. Chem., 14, 11402-11414 .

Cloned(Commentary)

Cloned (Comment)	Organism
gene ENPP1, recombinnat expression in COS-7 cells, preparation of memebranes	Homo sapiens
gene ENPP3, recombinant expression in COS-7 cells, preparation of memebranes	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
1,1'-(2-(2-bromophenyl)ethene-1,1-diyl)bis(1H-indole)	-	Homo sapiens
10-methoxy-6-(5-methoxy-1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
12-methyl-6(3-methyl-1H-indol-1-yl)indolo[1,2-h][1,7]naphthyridine	-	Homo sapiens
12-methyl-6-(3-methyl-1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
2,3-dimethoxy-12-methyl-6-(3-methyl-1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
3,9-difluoro-6-(6-fluoro-1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
3-fluoro-12-methyl-6-(3-methyl-1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
3-fluoro-6-(1H-pyrrolo[2,3-b]pyridin-1-yl)pyrido[3',2':4,5]pyrrolo[2,1-a]isoquinoline	-	Homo sapiens
5-(1H-pyrazol-1-yl)pyrazolo[5,1-a]isoquinoline	-	Homo sapiens
5-(1H-pyrrol-1-yl)pyrrolo[2,1-a]isoquinoline	-	Homo sapiens
6-(1H-benzo[d]imidazol-1-yl)benzo[4,5]imidazo[2,1-a]isoquinoline	-	Homo sapiens
6-(1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
6-(1H-pyrrolo[2,3-b]pyridin-1-yl)pyrido[3',2':4,5]pyrrolo[2,1-a]isoquinoline	-	Homo sapiens
6-(4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-9,10-dihydroindolo[2,1-a]isoquinolin-11(8H)-one	-	Homo sapiens
6-(5-cyano-1H-indol-1-yl)-2,3-dimethoxyindolo[2,1,-a]isoquinoline-10-carbonitrile	-	Homo sapiens
6-(5-cyano-1H-indol-1-yl)-3-fluoroindolo[2,1-a]isoquinoline-10-carbonitrile	-	Homo sapiens
6-(5-cyano-1H-indol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile	-	Homo sapiens
8,9-dimethoxy-5-(1H-pyrrol-1-yl)pyrrolo[2,1-a]isoquinoline	-	Homo sapiens
9-fluoro-6-(6-fluoro-1H-indol-1-yl)-2,3-dimethoxyindolo[2,1-a]isoquinoline	-	Homo sapiens
9-fluoro-6-(6-fluoro-1H-indol-1-yl)-[1,3]dioxolo[4,5-g]indolo[2,1-a]isoquinoline	-	Homo sapiens
9-fluoro-6-(6-fluoro-1H-indol-1-yl)indolo[2,1-a]isoquinoline	-	Homo sapiens
additional information	synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation, potent inhibition of nucleotide pyrophosphatase-1, docking study, overview. Various N-fused isoquinoline derivatives are synthesized using a one-pot reaction of 1-bromo-2-(2,2-difluorovinyl)benzenes with N-H group containing heterocycles followed by intramolecular palladium-catalyzed C-H arylation. The method described gives convenient access to diverse structures of N-fused polycyclic isoquinolines; synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation, potent inhibition of nucleotide pyrophosphatase-3, docking study, overview. Various N-fused isoquinoline derivatives are synthesized using a one-pot reaction of 1-bromo-2-(2,2-difluorovinyl)benzenes with N-H group containing heterocycles followed by intramolecular palladium-catalyzed C-H arylation. The method described gives convenient access to diverse structures of N-fused polycyclic isoquinolines	Homo sapiens

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
additional information	-	additional information	Michaelis-Menten kinetics	Homo sapiens

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
membrane	-	Homo sapiens	16020	-

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	required	Homo sapiens
Zn2+	required	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	O14638	-	-
Homo sapiens	P22413	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
4-nitrophenyl-5'-thymidine monophosphate + H2O	-	Homo sapiens	4-nitrophenol + 5'-thymidine monophosphate	-	?

Synonyms

Synonyms	Comment	Organism
h-NPP-1	-	Homo sapiens
h-NPP-3	-	Homo sapiens
nucleotide pyrophosphatase-1	-	Homo sapiens
nucleotide pyrophosphatase-3	-	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
9.5	-	assay at	Homo sapiens

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
additional information	-	additional information	inhibition kinetics	Homo sapiens

General Information

General Information	Comment	Organism
additional information	homology modelling of human NPP-1 and NPP-3, the structure of mouse Enpp1 (PDB ID 4B56) is used as a template, overview	Homo sapiens