Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581646
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.170±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:
BDBM581646
Synonyms:
(rac)-(2s,4s)-2-(6-(3-Isopropylphenyl)-2-azaspiro[3.4]octane-2-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 61
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
CC(C)c1cccc(c1)C1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:18.19,wD:20.22,(9.48,-2.44,;7.95,-2.55,;7.28,-3.94,;7.08,-1.28,;7.75,.11,;6.88,1.38,;5.35,1.27,;4.68,-.12,;5.54,-1.39,;3.14,-.23,;2.24,-1.48,;.77,-1,;.77,.54,;-.72,.14,;-1.11,1.63,;.37,2.03,;-2.45,2.4,;-2.45,3.94,;-3.78,1.63,;-4.18,.14,;-5.67,.54,;-5.27,2.03,;-5.59,-1,;-7.03,-1.55,;-7.99,-.35,;-9.48,-.22,;-7.16,.94,;2.24,1.01,)|
Structure:
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