Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM532533
Substrate
n/a
Meas. Tech.
In Vitro Competitive Activity-Based Protein Profiling Assay
IC50
<50±n/a nM
Citation
 Grice, CA; Buzard, DJ; Shaghafi, MB MAGL inhibitors US Patent  US11214557 Publication Date 1/4/2022 
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:
BDBM532533
Synonyms:
(R)-2-(2-((4- (((1,1,1,3,3,3- Hexafluoropropan-2- yl)oxy)carbonyl)piperazin- 1-yl)methyl)-5- (trifluoromethyl)phenoxy) propanoic acid | US11214557, Example 40 | US11332453, Example 40
Type:
Small organic molecule
Emp. Form.:
C19H19F9N2O5
Mol. Mass.:
526.3502
SMILES:
C[C@@H](Oc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(O)=O |r|
Structure:
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