Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581630
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.250±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:
BDBM581630
Synonyms:
(2s,4s)-2-((R*)-6-(4-(Trifluoromethyl)phenyl)-2-azaspiro[3.4]octane-2-carbonyl)- 7-oxa-5-azaspiro[3.4]octan-6-one | US11505546, Example 45
Type:
Small organic molecule
Emp. Form.:
C21H23F3N2O3
Mol. Mass.:
408.4141
SMILES:
FC(F)(F)c1ccc(cc1)[C@@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:10.10,21.23,(9.22,.19,;8.57,-1.21,;9.46,-2.47,;10.11,-1.08,;7.04,-1.35,;6.39,-2.74,;4.85,-2.88,;3.97,-1.62,;4.62,-.22,;6.15,-.09,;2.43,-1.62,;1.52,-2.86,;.06,-2.39,;.06,-.85,;-.18,.67,;-1.7,.43,;-1.46,-1.09,;-2.95,1.34,;-2.95,2.88,;-4.36,.71,;-4.75,-.78,;-6.24,-.38,;-5.84,1.11,;-6.16,-1.92,;-7.6,-2.47,;-8.57,-1.27,;-10.11,-1.15,;-7.73,.02,;1.52,-.37,)|
Structure:
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