Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581635
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.086±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:
BDBM581635
Synonyms:
(rac)-(2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspiro[3.4]octane-2-carbonyl)-7-oxa- 5-azaspiro[3.4]octan-6-one | US11505546, Example 50
Type:
Small organic molecule
Emp. Form.:
C24H32N2O3
Mol. Mass.:
396.5225
SMILES:
CC(C)(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:21.23,(9.51,-2.32,;8,-2.58,;7.46,-4.03,;8.98,-3.77,;7.01,-1.4,;7.55,.05,;6.56,1.23,;5.04,.97,;4.51,-.47,;5.49,-1.66,;2.97,-.47,;2.07,-1.72,;.6,-1.24,;.6,.3,;.36,1.82,;-1.16,1.58,;-.92,.06,;-2.41,2.49,;-2.41,4.03,;-3.81,1.86,;-4.21,.37,;-5.7,.77,;-5.3,2.26,;-5.62,-.77,;-7.06,-1.32,;-8.03,-.12,;-9.51,.08,;-7.19,1.17,;2.07,.78,)|
Structure:
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