Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581545
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.10±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:
BDBM581545
Synonyms:
(2s,4s)-2-[2-(m-Tolyl)-7-azaspiro[3.5]nonane-7-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 7
Type:
Small organic molecule
Emp. Form.:
C22H28N2O3
Mol. Mass.:
368.4693
SMILES:
Cc1cccc(c1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.20,wD:20.23,(9.15,-.93,;7.82,-1.7,;7.82,-3.24,;6.48,-4.01,;5.15,-3.24,;5.15,-1.7,;6.48,-.93,;3.81,-.93,;2.33,-1.33,;1.93,.16,;3.42,.56,;.59,-.61,;-.74,.16,;-.74,1.7,;.59,2.47,;1.93,1.7,;-2.07,2.47,;-2.07,4.01,;-3.41,1.7,;-3.8,.21,;-5.29,.61,;-4.89,2.1,;-5.29,-.93,;-6.76,-1.41,;-7.66,-.16,;-9.15,.24,;-6.76,1.09,)|
Structure:
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