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Literature summary extracted from

  • Saxty, G.; Norton, D.; Affleck, K.; Clapham, D.; Cleasby, A.; Coyle, J.; Day, P.; Frederickson, M.; Hancock, A.; Hobbs, H.; Hutchinson, J.; Le, J.; Leveridge, M.; McMenamin, R.; Mortenson, P.; Page, L.; Richardson, C.; Russell, L.; Sherriff, E.; Teague, S
    Identification of orally bioavailable small-molecule inhibitors of hematopoietic prostaglandin D2 synthase using X-ray fragment based drug discovery (2014), MedChemComm, 5, 134-141 .
No PubMed abstract available

Cloned(Commentary)

EC Number Cloned (Comment) Organism
5.3.99.2 expressed in Escherichia coli BL21(DE3) cells Homo sapiens

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
5.3.99.2 hanging drop vapor diffusion method, using 0.1 M MES/NaOH at pH 6.5, 0.005 M MgCl2 and 24% (w/v) PEG 3350 Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
5.3.99.2 3-(1H-pyrazol-4-yl)pyridine 58% inhibition at 0.1 mM Homo sapiens
5.3.99.2 3-(3-cyclopropyl-1H-pyrazol-4-yl)-N-ethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide
-
 Homo sapiens
5.3.99.2 3-(3-cyclopropyl-1H-pyrazol-4-yl)pyridine
-
 Homo sapiens
5.3.99.2 4-(3-methyl-1H-pyrazol-4-yl)benzonitrile 52% inhibition at 0.03 mM Homo sapiens
5.3.99.2 4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine
-
 Homo sapiens
5.3.99.2 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide
-
 Homo sapiens
5.3.99.2 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
-
 Homo sapiens
5.3.99.2 N-(5-fluoro-3-methyl-1H-indol-1-yl)-2-(pyridin-2-yl)pyrimidine-5-carboxamide
-
 Homo sapiens
5.3.99.2 N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
 Homo sapiens
5.3.99.2 N-cyclopentyl-3-(3-cyclopropyl-1H-pyrazol-4-yl)-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide 66% inhibition at 10 nM Homo sapiens
5.3.99.2 N-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

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

Organism

EC Number Organism UniProt Comment Textmining
5.3.99.2 Homo sapiens
-
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
5.3.99.2 Hi-trap Q column chromatography Homo sapiens

Substrates and Products (Substrate)

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

Synonyms

EC Number Synonyms Comment Organism
5.3.99.2 H-PGDS
-
 Homo sapiens
5.3.99.2 hematopoietic prostaglandin D2 synthase
-
 Homo sapiens
5.3.99.2 PGD synthase
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
5.3.99.2 0.00004
-
 pH and temperature not specified in the publication Homo sapiens 3-(3-cyclopropyl-1H-pyrazol-4-yl)-N-ethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide
5.3.99.2 0.0005
-
 pH and temperature not specified in the publication Homo sapiens N-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
5.3.99.2 0.0085
-
 pH and temperature not specified in the publication Homo sapiens N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
5.3.99.2 0.017
-
 pH and temperature not specified in the publication Homo sapiens 3-(3-cyclopropyl-1H-pyrazol-4-yl)pyridine