Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM521453
Substrate
n/a
Meas. Tech.
In Vitro Competitive Activity-Based Protein Profiling
IC50
<100±n/a nM
Citation
 Grice, CA; Weber, OD; Buzard, DJ; Shaghafi, MB; Wiener, JJ; Cisar, JS; Duncan, KK Pyrazole MAGL inhibitors US Patent  US11149037 Publication Date 10/19/2021 
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:
BDBM521453
Synonyms:
(R)-N-(1-(4- (1-(4-Chloro- 3-(4-fluoro- piperidin-1- yl)phenyl) ethyl) piperazine- 1-carbonyl)- 1H-pyrazol- 3-yl)methane- | US11149037, Example 139
Type:
Small organic molecule
Emp. Form.:
C22H30ClFN6O3S
Mol. Mass.:
513.028
SMILES:
C[C@@H](N1CCN(CC1)C(=O)n1ccc(NS(C)(=O)=O)n1)c1ccc(Cl)c(c1)N1CCC(F)CC1 |r|
Structure:
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