Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581643
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.110±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:
BDBM581643
Synonyms:
(rac)-(2s,4s)-2-(2-(4-(tert-Butyl)phenyl)-8-azaspiro[4.5]decane-8-carbonyl)-7-oxa- 5-azaspiro[3.4]octan-6-one | US11505546, Example 58
Type:
Small organic molecule
Emp. Form.:
C26H36N2O3
Mol. Mass.:
424.5756
SMILES:
CC(C)(C)c1ccc(cc1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(9.63,-2.96,;8.76,-1.69,;9.41,-.3,;10.29,-1.57,;7.22,-1.81,;6.56,-3.21,;5.03,-3.33,;4.15,-2.06,;4.81,-.67,;6.34,-.55,;2.61,-2.06,;1.71,-3.31,;.24,-2.83,;.24,-1.29,;1.71,-.82,;-1.25,-1.69,;-2.34,-.6,;-1.94,.88,;-.45,1.28,;.64,.19,;-3.18,1.79,;-3.18,3.33,;-4.59,1.16,;-4.99,-.32,;-6.48,.07,;-6.08,1.56,;-6.4,-1.46,;-7.83,-2.01,;-8.8,-.82,;-10.29,-.69,;-7.96,.47,)|
Structure:
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