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Literature summary 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.
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
3.1.1.23 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

EC Number Inhibitors Comment Organism Structure
3.1.1.23 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
3.1.1.23 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

EC Number Organism UniProt Comment Textmining
3.1.1.23 Homo sapiens Q99685
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Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.23 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
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 ?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.23 MGL
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 Homo sapiens
3.1.1.23 monoacylglycerol lipase
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 Homo sapiens