Literature summary for 3.1.1.23 extracted from

Bowman, A.L.; Makriyannis, A.
Refined homology model of monoacylglycerol lipase: toward a selective inhibitor (2009), J. Comput. Aided Mol. Des., 23, 799-806.

Search for more literature for 3.1.1.23

Application

Application	Comment	Organism
drug development	potent MGL inhibitors with selectivity over FAAH may be realized by exploiting structural difference as well as the binding sub-pocket, increased volume around the catalytic site, and potential hydrogen-bonding opportunities	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
5-[(biphenyl-4-yl)methyl]-N,N-dimethyl-2H-tetrazole-2-carboxamide	AM6701, conforms to the L shape of the binding site, contacts with the binding site are similar to those seen with the 2-arachidonoylglycerol docking pose. The close contacts with A164 and K165 are lost as the subpocket is not occupied. Instead the biphenyl moiety, which extends further up the binding pocket, makes additional contacts with A156, T157 and K160, thus AM6701 is a non-selective inhibitor	Homo sapiens
JZL184	MGL-selective inhibitor, represents a ligand with increased steric bulk over AM6701 and 2-arachidonoylglycerol. Extra bulk fills the binding site more completely and one 1,3-benzodioxole moiety makes additional contacts with the lid region of MGL. There is also a weak hydrogen bond from N195 to the p-nitro substituent	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q99685	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
2-arachidonoylglycerol + H2O	the MGL binding site is a single hydrophobic channel, consisting of an L-shaped main channel with a sub-pocket at the turn. The catalytic S122 of MGL is positioned at the bottom of a single channel	Homo sapiens	arachidonic acid + glycerol	-	?

Synonyms

Synonyms	Comment	Organism
MGL	-	Homo sapiens
monoacylglycerol lipase	-	Homo sapiens

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Release 2023.1 (January 2023)