Literature summary for 2.7.1.40 extracted from

Li, R.; Ning, X.; Zhou, S.; Lin, Z.; Wu, X.; Chen, H.; Bai, X.; Wang, X.; Ge, Z.; Li, R.; Yin, Y.
Discovery and structure-activity relationship of novel 4-hydroxy-thiazolidine-2-thione derivatives as tumor cell specific pyruvate kinase M2 activators (2018), Eur. J. Med. Chem., 143, 48-65 .

Inhibitors

Inhibitors	Comment	Organism
3-oxo-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propyl [(pyridin-3-yl)methyl]carbamodithioate	-	Homo sapiens
3-oxo-3-phenylpropyl [(pyridin-3-yl)methyl]carbamodithioate	-	Homo sapiens
3-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,4-diazepane-1-sulfonyl]aniline	-	Homo sapiens
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(methanesulfonyl)-2,3-dihydro-1H-isoindole	-	Homo sapiens
6-[(3-aminophenyl)methyl]-4-methyl-2-[methyl(methylidene)-lambda4-sulfanyl]-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one	-	Homo sapiens
7-[(1H-benzimidazol-1-yl)methyl]-2,3-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one	-	Homo sapiens
additional information	discovery and structure-activity relationship of 4-hydroxy-thiazolidine-2-thione derivatives as tumor cell specific pyruvate kinase M2 activators, AC50 values and cell growth inhibition of cancer cells, molecular modeling and docking study, overview	Homo sapiens
N,N'-(ethane-1,2-diyl)bis[4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxamide]	-	Homo sapiens
N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide	-	Homo sapiens
N-(4-(3-(pyridin-3-ylmethyl)-2-thioxo-2,3-dihydrothiazol-4-yl)phenyl)quinoline-8-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-((2-methoxypyridin-3-yl)methyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-((4-methylpyridin-3-yl)methyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-((6-(3-(methylsulfonyl)phenyl)pyridin-3-yl)methyl)-2-thioxo-thiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(2-(pyridin-3-yl)ethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyrazin-2-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-1-phenylmethanesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,4,6-trimethylbenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2-fluorobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2-morpholinobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2-nitrobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2-oxo-2Hchromene-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-3'-nitro-[1,1'-biphenyl]-2-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-3-fluorobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-3-methoxybenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-3-methylbenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-4-cyanobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-4-fluorobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-4-methoxybenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-4-methylbenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-4-nitrobenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-5-chloro-2-methoxybenzenesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-N-methylquinoline-8-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-[1,1'-biphenyl]-2-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)methanesulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)naphthalene-1-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)naphthalene-2-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)quinolone-8-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)thiophene-2-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(pyridin-4-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-(4-hydroxy-3-(quinolin-3-ylmethyl)-2-thioxothiazolidin-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide	-	Homo sapiens
N-(4-[4-hydroxy-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-yl]phenyl)-2-methylbenzene-1-sulfonamide	-	Homo sapiens
N-(4-[4-hydroxy-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-yl]phenyl)benzenesulfonamide	-	Homo sapiens
N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide	-	Homo sapiens
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
ADP + phosphoenolpyruvate	Homo sapiens	-	ATP + pyruvate	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P14618	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
carcinoma cell	-	Homo sapiens	-
HCT-116 cell	-	Homo sapiens	-
HeLa cell	-	Homo sapiens	-
HELF cell	-	Homo sapiens	-
NCI-H1299 cell	-	Homo sapiens	-
PC-3 cell	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
ADP + phosphoenolpyruvate	-	Homo sapiens	ATP + pyruvate	-	?

Synonyms

Synonyms	Comment	Organism
PKM2	-	Homo sapiens
pyruvate kinase M2 isoform	-	Homo sapiens

General Information

General Information	Comment	Organism
physiological function	pyruvate kinase M2 isoform (PKM2) is a crucial protein responsible for aerobic glycolysis of cancer cells. Activation of PKM2 may alter an aberrant metabolism in cancer cells	Homo sapiens