Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM474429
Substrate
n/a
Meas. Tech.
MAGL Enzymatic Assay (30 minute)
IC50
0.679±n/a nM
Citation
 Brodney, MA; Butler, CR; McAllister, LA; Helal, CJ; O''Neil, SV; Verhoest, PR Heterocyclic spiro compounds as MAGL inhibitors US Patent  US10858373 Publication Date 12/8/2020 
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:
BDBM474429
Synonyms:
US10858373, Example 27
Type:
Small organic molecule
Emp. Form.:
C17H24F6N2O5S
Mol. Mass.:
482.438
SMILES:
CC[C@H]1C[C@H]1S(=O)(=O)N1CCOC2(CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C1 |r|
Structure:
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