Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM630876
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.100±n/a nM
Citation
 Alcazar, J; Ameriks, MK; Berry, CB; Garcia-Reynaga, P; Laforteza, BN; Samant, AV Cyclobutyl amide monoacylglycerol lipase modulators US Patent  US11802111 Publication Date 10/31/2023 
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:
BDBM630876
Synonyms:
(7-((3,6-Dimethyl-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azaspiro[3.5]nonan-2-yl)((1s,3s)-3-hydroxy-3-methylcyclobutyl)methanone | US11802111, Example 466
Type:
Small organic molecule
Emp. Form.:
C22H29F3N2O3
Mol. Mass.:
426.4725
SMILES:
Cc1cc(c(C)nc1OC1CCC2(CN(C2)C(=O)[C@H]2C[C@@](C)(O)C2)CC1)C(F)(F)F |r,wU:20.23,18.19,wD:20.22,(5.29,-3.62,;5.29,-2.08,;6.62,-1.31,;6.62,.23,;5.29,1,;5.29,2.54,;3.95,.23,;3.95,-1.31,;2.62,-2.08,;1.29,-1.31,;-.05,-2.08,;-1.38,-1.31,;-1.38,.23,;-2.87,-.17,;-3.27,1.31,;-1.78,1.71,;-4.6,2.08,;-4.6,3.62,;-5.93,1.31,;-6.33,-.17,;-7.82,.23,;-8.22,-1.26,;-9.29,.64,;-7.42,1.71,;-.05,1,;1.29,.23,;7.95,1,;7.95,2.54,;9.29,.23,;9.29,1.77,)|
Structure:
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