Literature summary for 2.7.1.78 extracted from

Freschauf, G.K.; Karimi-Busheri, F.; Ulaczyk-Lesanko, A.; Mereniuk, T.R.; Ahrens, A.; Koshy, J.M.; Rasouli-Nia, A.; Pasarj, P.; Holmes, C.F.; Rininsland, F.; Hall, D.G.; Weinfeld, M.
Identification of a small molecule inhibitor of the human DNA repair enzyme polynucleotide kinase/phosphatase (2009), Cancer Res., 69, 7739-7746.

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Application

Application	Comment	Organism
medicine	A12B4C3 enhances the radiosensitivity of human A549 lung carcinoma and MDA-MB-231 breast adenocarcinoma cells by a factor of two	Homo sapiens

Cloned(Commentary)

Cloned (Comment)	Organism
-	Homo sapiens
-	Schizosaccharomyces pombe
-	Mus musculus

Inhibitors

Inhibitors	Comment	Organism	Structure
2-(1-hydroxyundecyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A12B4C3	Homo sapiens
2-(1-hydroxyundecyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A12B4C3	Mus musculus
2-(1-hydroxyundecyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A12B4C3	Schizosaccharomyces pombe
2-(1-hydroxyundecyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A12B4C3	Tequatrovirus T4
2-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A6B4C3	Homo sapiens
2-(hydroxy(phenyl)methyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A1B4C3	Homo sapiens
2-(hydroxy(thiophen-2-yl)methyl)-6-methyl-1-(phenylamino)-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione	A39B1C2	Homo sapiens
tert-butyl 2-(1-hydroxy-2,2-diphenylethyl)-6-methyl-5,7-dioxo-2,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine-1yl-carbamate	A26B11C2	Homo sapiens

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	-	Homo sapiens
Mg2+	-	Schizosaccharomyces pombe
Mg2+	-	Tequatrovirus T4
Mg2+	-	Mus musculus

Molecular Weight [Da]

Molecular Weight [Da]	Molecular Weight Maximum [Da]	Comment	Organism
57100	-	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
ATP + 5'-dephospho-DNA	Homo sapiens	-	ADP + 5'-phospho-DNA	-	r
ATP + 5'-dephospho-DNA	Schizosaccharomyces pombe	-	ADP + 5'-phospho-DNA	-	r
ATP + 5'-dephospho-DNA	Tequatrovirus T4	-	ADP + 5'-phospho-DNA	-	r
ATP + 5'-dephospho-DNA	Mus musculus	-	ADP + 5'-phospho-DNA	-	r

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-
Mus musculus	Q9JLV6	-	-
Schizosaccharomyces pombe	-	-	-
Tequatrovirus T4	-	-	-

Purification (Commentary)

Purification (Comment)	Organism
-	Homo sapiens
-	Schizosaccharomyces pombe
-	Mus musculus

Source Tissue

Source Tissue	Comment	Organism	Textmining
A-549 cell	-	Homo sapiens	-
MDA-MB-231 cell	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
ATP + 5'-dephospho-DNA	-	Homo sapiens	ADP + 5'-phospho-DNA	-	r
ATP + 5'-dephospho-DNA	-	Schizosaccharomyces pombe	ADP + 5'-phospho-DNA	-	r
ATP + 5'-dephospho-DNA	-	Tequatrovirus T4	ADP + 5'-phospho-DNA	-	r
ATP + 5'-dephospho-DNA	-	Mus musculus	ADP + 5'-phospho-DNA	-	r

Synonyms

Synonyms	Comment	Organism
hPNKP	-	Homo sapiens
mPNKP	-	Mus musculus
PNKP	-	Homo sapiens
PNKP	-	Schizosaccharomyces pombe
PNKP	-	Tequatrovirus T4
PNKP	-	Mus musculus
polynucleotide kinase/phosphatase	-	Homo sapiens
polynucleotide kinase/phosphatase	-	Schizosaccharomyces pombe
polynucleotide kinase/phosphatase	-	Tequatrovirus T4
polynucleotide kinase/phosphatase	-	Mus musculus
T4 PNK	-	Tequatrovirus T4

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	activity assay	Homo sapiens
37	-	activity assay	Schizosaccharomyces pombe
37	-	activity assay	Tequatrovirus T4
37	-	activity assay	Mus musculus

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7.4	-	activity assay	Homo sapiens
7.4	-	activity assay	Schizosaccharomyces pombe
7.4	-	activity assay	Tequatrovirus T4
7.4	-	activity assay	Mus musculus

Cofactor

Cofactor	Comment	Organism	Structure
ATP	-	Homo sapiens
ATP	-	Schizosaccharomyces pombe
ATP	-	Tequatrovirus T4
ATP	-	Mus musculus

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00006	-	-	Homo sapiens	2-(1-hydroxyundecyl)-1-(4-nitrophenylamino)-6-phenyl-6,7a-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,4aH)-dione

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Release 2023.1 (January 2023)