Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581636
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.000±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:
BDBM581636
Synonyms:
(rac)-(2s,4s)-2-(6-(3-(tert-Butyl)phenyl)-2-azaspiro[3.4]octane-2-carbonyl)-8- methyl-7-oxa-5 -azaspiro[3.4] octan-6-one | US11505546, Example 51
Type:
Small organic molecule
Emp. Form.:
C25H34N2O3
Mol. Mass.:
410.5491
SMILES:
CC1OC(=O)N[C@@]11C[C@@H](C1)C(=O)N1CC2(C1)CCC(C2)c1cccc(c1)C(C)(C)C |r,wU:8.11,wD:6.10,(-4.3,-1.56,;-5.59,-.72,;-7.03,-1.27,;-8,-.08,;-9.48,.13,;-7.16,1.22,;-5.67,.82,;-4.18,.42,;-3.78,1.91,;-5.27,2.3,;-2.38,2.53,;-2.38,4.07,;-1.13,1.63,;.39,1.87,;.63,.35,;-.89,.11,;.63,-1.19,;2.1,-1.67,;3,-.42,;2.1,.82,;4.54,-.42,;5.12,1,;6.65,1.21,;7.59,-0,;7.01,-1.43,;5.49,-1.64,;7.96,-2.65,;9.48,-2.44,;7.38,-4.07,;8.9,-3.86,)|
Structure:
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