Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581678
Substrate
n/a
Meas. Tech.
In Vitro Activity Assay
IC50
0.040±n/a nM
Citation
 Ameriks, MK; Garcia-Reynaga, P Aminocyclobutanes as monoacylglycerol lipase modulators US Patent  US11512059 Publication Date 11/29/2022 
Target
Name:
Monoglyceride lipase
Synonyms:
HU-K5 | Lysophospholipase homolog | Lysophospholipase-like | MAGL | MGL | MGLL | MGLL_HUMAN
Type:
Hydrolase
Mol. Mass.:
33264.56
Organism:
Homo sapiens (Human)
Description:
Human recombinant MGL (Cayman Chemical, cat# 10008354).
Residue:
303
Sequence:
MPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWKPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNLVLPNLSLGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
  
Inhibitor
Name:
BDBM581678
Synonyms:
(2s,4S)-N-((1s,3S)-3-(4-Isopropylphenyl)cyclobutyl)-N-methyl-6-oxo-7-oxa-5- | US11512059, Example 13
Type:
Small organic molecule
Emp. Form.:
C21H28N2O3
Mol. Mass.:
356.4586
SMILES:
CC(C)c1ccc(cc1)[C@@H]1C[C@@H](C1)N(C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:17.18,11.14,9.9,wD:19.21,$;;;;;;;;;;;;;;;;;;;;;;;;;HN$,(9.21,2.4,;7.87,3.17,;7.87,4.71,;6.54,2.4,;6.54,.86,;5.2,.09,;3.87,.86,;3.87,2.4,;5.2,3.17,;2.54,.09,;1.05,.49,;.65,-1,;2.14,-1.4,;-.68,-1.77,;-.68,-3.31,;-2.02,-1,;-2.02,.54,;-3.35,-1.77,;-3.75,-3.26,;-5.24,-2.86,;-4.84,-1.37,;-5.4,-4.39,;-6.9,-4.71,;-7.67,-3.38,;-9.21,-3.22,;-6.64,-2.23,)|
Structure:
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