Literature summary for 5.3.99.2 extracted from

Weber, J.E.; Oakley, A.J.; Christ, A.N.; Clark, A.G.; Hayes, J.D.; Hall, R.; Hume, D.A.; Board, P.G.; Smythe, M.L.; Flanagan, J.U.
Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase (2010), Eur. J. Med. Chem., 45, 447-454.

Application

Application	Comment	Organism
medicine	prostaglandin D2 synthesized by the hematopoietic prostaglandin D2 synthase has a pro-inflammatory effect in allergic asthma, regulating many hallmark characteristics of the disease	Homo sapiens

Cloned (Comment)	Organism
into the vector pET17b for expression in Escherichia coli BL21DE3 cells	Homo sapiens

Crystallization (Comment)	Organism
the structure of H-PGDS in complex with GSH and nocodazole is solved to a resolution of 1.9 A	Homo sapiens

Inhibitors	Comment	Organism
1-benzoyl piperazine	-	Homo sapiens
1-benzoyl piperidine	-	Homo sapiens
1-benzoyl-4-(methylsulfonyl)piperazine	-	Homo sapiens
1-phenyl-1-(2-thienyl)methanamine	-	Homo sapiens
3-benzoylpyrrole	-	Homo sapiens
AB179670	-	Homo sapiens
benzophenone	-	Homo sapiens
Cibacron blue 3GA	-	Homo sapiens
CMB5190724	-	Homo sapiens
CMB5256165	-	Homo sapiens
cyclohexyl-phenylketone	-	Homo sapiens
cyclopentyl-phenylketone	-	Homo sapiens
Ethacrynic acid	-	Homo sapiens
HQL-79	-	Homo sapiens
N-phenyl-2-thiophene-carboxamide	-	Homo sapiens
nocodazole	-	Homo sapiens
NSC151248	-	Homo sapiens
NSC4502	-	Homo sapiens
oxfendazole	-	Homo sapiens
phenyl-(2-thienyl)-methanol	-	Homo sapiens
phenyl-(3-thienyl)-methanone	-	Homo sapiens
Sulfobromophthalein	-	Homo sapiens

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
Prostaglandin H2	Homo sapiens	-	Prostaglandin D2	-	?

Organism	UniProt	Comment	Textmining
Homo sapiens	O60760	-	-

Purification (Comment)	Organism
on a GSTPrep FF 16/10 column	Homo sapiens

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
Prostaglandin H2	-	Homo sapiens	Prostaglandin D2	-	?

Synonyms	Comment	Organism
H-PGDS	-	Homo sapiens
hematopoietic prostaglandin D2 synthase	-	Homo sapiens

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
25	-	enzyme assay	Homo sapiens

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

Cofactor	Comment	Organism	Structure
glutathione	GSH	Homo sapiens

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.0002	-	-	Homo sapiens	Cibacron blue 3GA
0.0018	-	-	Homo sapiens	HQL-79
0.0092	-	-	Homo sapiens	NSC4502
0.0114	-	-	Homo sapiens	phenyl-(3-thienyl)-methanone
0.016	-	-	Homo sapiens	cyclopentyl-phenylketone
0.027	-	-	Homo sapiens	Sulfobromophthalein
0.0622	-	-	Homo sapiens	benzophenone
0.065	-	-	Homo sapiens	nocodazole
0.0875	-	-	Homo sapiens	3-benzoylpyrrole
0.1	-	larger than 0.100 mM	Homo sapiens	cyclohexyl-phenylketone
0.1	-	larger than 0.100 mM	Homo sapiens	1-benzoyl piperidine
0.1	-	larger than 0.100 mM	Homo sapiens	1-benzoyl piperazine
0.1	-	larger than 0.100 mM	Homo sapiens	1-benzoyl-4-(methylsulfonyl)piperazine
0.1	-	larger than 0.100 mM	Homo sapiens	CMB5256165
0.1	-	larger than 0.100 mM	Homo sapiens	phenyl-(2-thienyl)-methanol
0.1	-	larger than 0.100 mM	Homo sapiens	1-phenyl-1-(2-thienyl)methanamine
0.1	-	larger than 0.100 mM	Homo sapiens	N-phenyl-2-thiophene-carboxamide
0.1	-	larger than 0.100 mM	Homo sapiens	AB179670
0.105	-	-	Homo sapiens	NSC151248
0.117	-	-	Homo sapiens	CMB5190724
0.1223	-	-	Homo sapiens	Ethacrynic acid
0.3	-	larger than 0.300 mM	Homo sapiens	oxfendazole