Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581648
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.100±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:
BDBM581648
Synonyms:
(rac)-(2s,4s)-2-(6-(4-Isopropylphenyl)-2-azaspiro[3.4]octane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 63
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
CC(C)c1ccc(cc1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.62,.42,;8.95,-.97,;9.82,-2.24,;7.41,-1.08,;6.74,-2.47,;5.21,-2.58,;4.34,-1.31,;5.01,.08,;6.55,.19,;2.81,-1.42,;1.9,-2.67,;.44,-2.19,;.44,-.65,;-1.05,-1.05,;-1.45,.43,;.04,.83,;-2.78,1.2,;-2.78,2.74,;-4.12,.43,;-4.52,-1.05,;-6,-.65,;-5.6,.83,;-5.92,-2.19,;-7.36,-2.74,;-8.33,-1.55,;-9.82,-1.41,;-7.49,-.26,;1.9,-.18,)|
Structure:
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