Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581644
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.870±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:
BDBM581644
Synonyms:
(2s,4s)-2-(2-(3-Isopropylphenyl)-6-azaspiro[3.4]octane-6-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 59
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
CC(C)c1cccc(c1)C1CC2(C1)CCN(C2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(7.56,-3.25,;8.17,-1.84,;9.7,-1.66,;7.25,-.6,;7.86,.81,;6.94,2.05,;5.41,1.87,;4.8,.45,;5.72,-.78,;3.26,.38,;2.23,-.76,;1.09,.28,;2.12,1.42,;.24,-1.01,;-1.24,-.6,;-1.33,.94,;.12,1.48,;-2.67,1.71,;-2.67,3.25,;-4,.94,;-4.4,-.55,;-5.89,-.15,;-5.49,1.34,;-5.81,-1.69,;-7.24,-2.24,;-8.21,-1.04,;-9.7,-.99,;-7.37,.25,)|
Structure:
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