Literature summary extracted from

Kuzikov, A.V.; Dugin, N.O.; Stulov, S.V.; Shcherbinin, D.S.; Zharkova, M.S.; Tkachev, Y.V.; Timofeev, V.P.; Veselovsky, A.V.; Shumyantseva, V.V.; Misharin, A.Y.
Novel oxazolinyl derivatives of pregna-5,17(20)-diene as 17alpha-hydroxylase/17,20-lyase (CYP17A1) inhibitors (2014), Steroids, 88, 66-71.

Inhibitors

EC Number	Inhibitors	Comment	Organism	Structure
1.14.14.32	2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',4'-dimethyl-4',5'-dihydro-1',3'-oxazole	-	Homo sapiens
1.14.14.32	2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',5'-dihydro-1',3'-oxazole	-	Homo sapiens
1.14.14.32	abiraterone	i.e. 17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol	Homo sapiens
1.14.14.32	TOK-001	-	Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number	Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
1.14.14.32	pregnenolone + [reduced NADPH-hemoprotein reductase] + O2	Homo sapiens	-	17alpha-hydroxypregnenolone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?
1.14.14.32	progesterone + [reduced NADPH-hemoprotein reductase] + O2	Homo sapiens	-	17alpha-hydroxyprogesterone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?

Organism

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

Substrates and Products (Substrate)

EC Number	Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
1.14.14.32	pregnenolone + [reduced NADPH-hemoprotein reductase] + O2	-	Homo sapiens	17alpha-hydroxypregnenolone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?
1.14.14.32	progesterone + [reduced NADPH-hemoprotein reductase] + O2	-	Homo sapiens	17alpha-hydroxyprogesterone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?

Synonyms

EC Number	Synonyms	Comment	Organism
1.14.14.32	17alpha-hydroxylase/17,20-lyase	-	Homo sapiens
1.14.14.32	CYP17A1	-	Homo sapiens

IC50 Value

EC Number	IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
1.14.14.32	0.0009	-	at pH 7.4 and 37°C	Homo sapiens	2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',5'-dihydro-1',3'-oxazole
1.14.14.32	0.0013	-	at pH 7.4 and 37°C	Homo sapiens	abiraterone
1.14.14.32	0.013	-	at pH 7.4 and 37°C	Homo sapiens	2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',4'-dimethyl-4',5'-dihydro-1',3'-oxazole

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Release 2023.1 (January 2023)