Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581534
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.041±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:
BDBM581534
Synonyms:
(2s,4s)-2-[2-(3-Isopropylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 6
Type:
Small organic molecule
Emp. Form.:
C24H32N2O3
Mol. Mass.:
396.5225
SMILES:
CC(C)c1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:20.22,wD:22.25,(9.82,-1.7,;8.48,-.93,;8.48,.61,;7.15,-1.7,;7.15,-3.24,;5.82,-4.01,;4.48,-3.24,;4.48,-1.7,;5.82,-.93,;3.15,-.93,;1.66,-1.33,;1.26,.16,;2.75,.56,;-.07,-.61,;-1.41,.16,;-1.41,1.7,;-.07,2.47,;1.26,1.7,;-2.74,2.47,;-2.74,4.01,;-4.07,1.7,;-4.47,.21,;-5.96,.61,;-5.56,2.1,;-5.96,-.93,;-7.42,-1.41,;-8.33,-.16,;-9.82,.24,;-7.42,1.09,)|
Structure:
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