Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581622
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.40±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:
BDBM581622
Synonyms:
(2s,4s)-2-[2-(2-(tert-Butyl)oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl)-7-oxa- 5-azaspiro[3.4]octan-6-one | US11505546, Example 37
Type:
Small organic molecule
Emp. Form.:
C22H31N3O4
Mol. Mass.:
401.4992
SMILES:
CC(C)(C)c1ncc(o1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(9.92,-1.65,;8.43,-2.05,;8.83,-.56,;9.52,-3.14,;6.94,-2.45,;6.17,-3.78,;4.66,-3.46,;4.5,-1.93,;5.91,-1.3,;3.17,-1.16,;1.68,-1.56,;1.28,-.07,;2.77,.33,;-.05,-.84,;-1.38,-.07,;-1.38,1.47,;-.05,2.24,;1.28,1.47,;-2.72,2.24,;-2.72,3.78,;-4.05,1.47,;-4.45,-.02,;-5.94,.38,;-5.54,1.87,;-6.1,-1.15,;-7.61,-1.47,;-8.38,-.14,;-9.92,-.14,;-7.34,1.01,)|
Structure:
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