Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581601
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.095±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:
BDBM581601
Synonyms:
(2r,4s)-2-(2-(6-(tert-Butyl)pyridin-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl)-5- azaspiro[3.4]octan-6-one | US11505546, Example 16 | US11505546, Example 31
Type:
Small organic molecule
Emp. Form.:
C24H33N3O3
Mol. Mass.:
411.5371
SMILES:
CC(C)(C)c1cccc(n1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.23,wD:23.26,(9.88,-.16,;8.54,-.93,;8.54,.61,;9.88,-1.7,;7.21,-1.7,;7.21,-3.24,;5.88,-4.01,;4.54,-3.24,;4.54,-1.7,;5.88,-.93,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,)|
Structure:
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