Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581658
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.210±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:
BDBM581658
Synonyms:
(2s,4s)-2-(6-(3-Cyclobutylphenyl)-2-azaspiro[3.3]heptane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 73
Type:
Small organic molecule
Emp. Form.:
C23H28N2O3
Mol. Mass.:
380.48
SMILES:
O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)c2cccc(c2)C2CCC2)C1 |r,wU:2.1,wD:4.4,(-2.62,3.78,;-2.62,2.24,;-3.95,1.47,;-4.35,-.01,;-5.84,.39,;-5.44,1.87,;-5.76,-1.15,;-7.2,-1.7,;-8.17,-.51,;-9.71,-.51,;-7.33,.78,;-1.29,1.47,;-.89,-.01,;.6,.38,;1,-1.1,;2.49,-.7,;2.09,.78,;3.82,-1.47,;3.82,-3.01,;5.15,-3.78,;6.49,-3.01,;6.49,-1.47,;5.15,-.7,;7.82,-.7,;9.31,-1.1,;9.71,.38,;8.22,.78,;.2,1.87,)|
Structure:
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