Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581640
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.10±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:
BDBM581640
Synonyms:
(rac)-(2s,4s)-2-(6-Cyclopentyl-2-azaspiro[3.4]octane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 55
Type:
Small organic molecule
Emp. Form.:
C19H28N2O3
Mol. Mass.:
332.4372
SMILES:
O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(C1)CCC(C2)C1CCCC1 |r,wU:2.1,wD:4.4,(-1.14,2.87,;-1.14,1.33,;-2.54,.7,;-2.94,-.78,;-4.43,-.38,;-4.03,1.1,;-4.35,-1.92,;-5.79,-2.47,;-6.76,-1.28,;-8.24,-1.07,;-5.92,.01,;.11,.43,;1.63,.67,;1.87,-.85,;.35,-1.1,;1.87,-2.39,;3.34,-2.87,;4.24,-1.62,;3.34,-.38,;5.78,-1.62,;6.87,-2.71,;8.24,-2.01,;8,-.49,;6.48,-.25,)|
Structure:
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