Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581650
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.097±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:
BDBM581650
Synonyms:
(2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspiro[3.3]heptane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 65
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
CC(C)(C)c1cccc(c1)C1CC2(C1)CN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(8.07,.84,;8.07,-.7,;9.4,-1.47,;9.4,.07,;6.74,-1.47,;6.74,-3.01,;5.4,-3.78,;4.07,-3.01,;4.07,-1.47,;5.4,-.7,;2.74,-.7,;1.25,-1.1,;.85,.38,;2.34,.78,;-.64,-.01,;-1.04,1.47,;.45,1.87,;-2.37,2.24,;-2.37,3.78,;-3.7,1.47,;-4.1,-.01,;-5.59,.39,;-5.19,1.87,;-5.51,-1.15,;-6.95,-1.7,;-7.92,-.51,;-9.4,-.43,;-7.08,.78,)|
Structure:
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