Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581659
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.620±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:
BDBM581659
Synonyms:
(2s,4s)-2-(6-(2,3-Dihydro-1H-inden-5-yl)-2-azaspiro[3.3]heptane-2-carbonyl)-7- oxa-5-azaspiro[3.4]octan-6-one | US11505546, Example 74
Type:
Small organic molecule
Emp. Form.:
C22H26N2O3
Mol. Mass.:
366.4534
SMILES:
O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(CC(C2)c2ccc3CCCc3c2)C1 |r,wU:2.1,wD:4.4,(-2.14,3.78,;-2.14,2.24,;-3.48,1.47,;-3.88,-.01,;-5.36,.39,;-4.97,1.87,;-5.52,-1.15,;-7.03,-1.47,;-7.8,-.13,;-9.33,.03,;-6.77,1.01,;-.81,1.47,;.68,1.87,;1.08,.39,;2.56,.78,;2.96,-.7,;1.47,-1.1,;4.3,-1.47,;4.3,-3.01,;5.63,-3.78,;6.96,-3.01,;8.43,-3.49,;9.33,-2.24,;8.43,-1,;6.96,-1.47,;5.63,-.7,;-.41,-.01,)|
Structure:
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