Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581661
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.730±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:
BDBM581661
Synonyms:
(2s,4s)-2-(7-Phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 76
Type:
Small organic molecule
Emp. Form.:
C21H26N2O3
Mol. Mass.:
354.4427
SMILES:
O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1CC2(C1)CCC(CC2)c1ccccc1 |r,wU:2.1,wD:4.4,(-1.35,4.01,;-1.35,2.47,;-2.68,1.7,;-3.08,.21,;-4.57,.61,;-4.17,2.1,;-4.73,-.92,;-6.24,-1.24,;-7.01,.09,;-8.54,.25,;-5.98,1.24,;-.02,1.7,;1.47,2.1,;1.87,.61,;.38,.21,;1.87,-.93,;3.2,-1.7,;4.54,-.93,;4.54,.61,;3.2,1.38,;5.87,-1.7,;5.87,-3.24,;7.2,-4.01,;8.54,-3.24,;8.54,-1.7,;7.2,-.93,)|
Structure:
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