Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581624
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.039±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:
BDBM581624
Synonyms:
(rac)-(2s,4s)-2-(2-(4-(Trifluoromethyl)phenyl)-8-azaspiro[4.5]decane-8-carbonyl)- 7-oxa-5-azaspiro[3.4]octan-6-one | US11505546, Example 39
Type:
Small organic molecule
Emp. Form.:
C23H27F3N2O3
Mol. Mass.:
436.4673
SMILES:
FC(F)(F)c1ccc(cc1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(10.43,.68,;9.09,-.09,;9.49,1.39,;10.43,-.86,;7.6,-.49,;7.21,-1.98,;5.72,-2.38,;4.63,-1.29,;5.03,.2,;6.52,.6,;3.14,-1.69,;2.24,-2.93,;.77,-2.46,;.77,-.92,;2.24,-.44,;-.56,-1.69,;-1.9,-.92,;-1.9,.62,;-.56,1.39,;.77,.62,;-3.23,1.39,;-3.23,2.93,;-4.56,.62,;-4.96,-.86,;-6.45,-.47,;-6.05,1.02,;-6.61,-2,;-8.12,-2.32,;-8.89,-.98,;-10.43,-.98,;-7.86,.16,)|
Structure:
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