Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581634
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.110±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:
BDBM581634
Synonyms:
(rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-2-azaspiro[3.4]octane-2-carbonyl)-7-oxa- 5-azaspiro[3.4]octan-6-one | US11505546, Example 49
Type:
Small organic molecule
Emp. Form.:
C24H32N2O3
Mol. Mass.:
396.5225
SMILES:
CC(C)(C)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.17,.26,;8.54,-1.14,;9.45,-2.39,;10.08,-.98,;7.01,-1.3,;6.39,-2.71,;4.85,-2.87,;3.95,-1.62,;4.58,-.22,;6.11,-.06,;2.41,-1.62,;1.5,-2.87,;.04,-2.39,;.04,-.85,;-.2,.67,;-1.72,.43,;-1.48,-1.1,;-2.97,1.33,;-2.97,2.87,;-4.38,.7,;-4.77,-.78,;-6.26,-.38,;-5.86,1.1,;-6.18,-1.92,;-7.62,-2.47,;-8.59,-1.28,;-10.08,-1.15,;-7.75,.01,;1.5,-.38,)|
Structure:
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