Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581654
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.900±n/a nM
Citation
 Alcazar, J; Ameriks, MK; Berry, CB; Garcia-Reynaga, P; Samant, AV; Vega-Ramiro, JA Azaspirocycles as monoacylglycerol lipase modulators US Patent  US11505546 Publication Date 11/22/2022 
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:
BDBM581654
Synonyms:
(2s,4s)-2-(6-Cyclohexyl-2-azaspiro[3.3]heptane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 69
Type:
Small organic molecule
Emp. Form.:
C19H28N2O3
Mol. Mass.:
332.4372
SMILES:
O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)C2CCCCC2)C1 |r,wU:2.1,wD:4.4,(-1.04,3.78,;-1.04,2.24,;-2.37,1.47,;-2.77,-.01,;-4.26,.39,;-3.86,1.87,;-4.18,-1.15,;-5.61,-1.7,;-6.58,-.51,;-8.07,-.3,;-5.74,.78,;.3,1.47,;.7,-.01,;2.18,.38,;2.58,-1.1,;4.07,-.7,;3.67,.78,;5.4,-1.47,;5.4,-3.01,;6.74,-3.78,;8.07,-3.01,;8.07,-1.47,;6.74,-.7,;1.78,1.87,)|
Structure:
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