Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581631
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.100±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:
BDBM581631
Synonyms:
(2s,4R*)-2-((S*)-6-(4-(Trifluoromethyl)phenyl)-2-azaspiro[3.4]octane-2- carbonyl)-7-oxa-5-azaspiro[3.4]octan-6-one | US11505546, Example 46
Type:
Small organic molecule
Emp. Form.:
C21H23F3N2O3
Mol. Mass.:
408.4141
SMILES:
FC(F)(F)c1ccc(cc1)[C@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:10.10,19.20,wD:21.23,(9.12,.44,;8.54,-.99,;9.48,-2.2,;10.06,-.77,;7.01,-1.2,;6.43,-2.63,;4.91,-2.84,;3.96,-1.62,;4.54,-.2,;6.07,.02,;2.42,-1.62,;1.52,-2.87,;.05,-2.39,;.05,-.85,;-.19,.67,;-1.71,.43,;-1.47,-1.1,;-2.96,1.33,;-2.96,2.87,;-4.36,.7,;-4.76,-.78,;-6.25,-.38,;-5.85,1.1,;-6.17,-1.92,;-7.61,-2.47,;-8.57,-1.28,;-10.06,-1.08,;-7.74,.01,;1.52,-.38,)|
Structure:
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