Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581603
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.70±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:
BDBM581603
Synonyms:
(2r,4s)-2-[2-[3-Chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7- carbonyl)-5-azaspiro[3.4]octan-6-one | US11505546, Example 18
Type:
Small organic molecule
Emp. Form.:
C22H24ClF3N2O3
Mol. Mass.:
456.886
SMILES:
FC(F)(F)c1ccc(cc1Cl)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(9.92,-4.14,;8.59,-3.37,;7.82,-4.7,;9.36,-2.04,;7.26,-2.6,;5.88,-3.34,;4.54,-2.57,;4.54,-1.03,;5.88,-.26,;7.21,-1.03,;8.54,-.26,;3.21,-.26,;1.72,-.66,;1.32,.83,;2.81,1.22,;-.01,.06,;-1.35,.83,;-1.35,2.37,;-.01,3.14,;1.32,2.37,;-2.68,3.14,;-2.68,4.68,;-4.01,2.37,;-4.41,.88,;-5.9,1.28,;-5.5,2.76,;-6.06,-.25,;-7.57,-.57,;-8.34,.76,;-9.88,.76,;-7.31,1.9,)|
Structure:
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