Literature summary for 3.3.2.10 extracted from

Xing, L.; McDonald, J.J.; Kolodziej, S.A.; Kurumbail, R.G.; Williams, J.M.; Warren, C.J.; ONeal, J.M.; Skepner, J.E.; Roberds, S.L.
Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening (2011), J. Med. Chem., 54, 1211-1222.

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Cloned(Commentary)

Cloned (Comment)	Organism
expression in baculoviral system	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
His-tagged hydrolase domain, in complex with inhibitor N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide. The compound binds deeply within the active site of sEH, forming a network of hydrogen-bonding interactionswith key protein atoms	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
1-(4-acetylphenyl)-N-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide	IC50 value in COS-7 cell assay 4.7 nM, 45% remiaining stability in human microsomes	Homo sapiens
1-(4-acetylphenyl)-N-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide	IC50 value in COS-7 cell assay 5.8 nM, 53% remiaining stability in human microsomes	Homo sapiens
N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide	-	Homo sapiens
t-butyl 4-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxylate	IC50 value in COS-7 cell assay 1.5 nM, 43% remiaining stability in human microsomes	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P34913	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
6,8-difluoro-4-methylumbelliferyl trans-2,3-epoxy-3-phenylpropylcarbonate + H2O	-	Homo sapiens	?	-	?

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0000036	-	pH 7.4, 22°C	Homo sapiens	1-(4-acetylphenyl)-N-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
0.0000036	-	pH 7.4, 22°C	Homo sapiens	1-(4-acetylphenyl)-N-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
0.0000069	-	pH 7.4, 22°C	Homo sapiens	t-butyl 4-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
0.000032	-	pH 7.4, 22°C	Homo sapiens	N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide

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Release 2023.1 (January 2023)