Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM521442
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:
BDBM521442
Synonyms:
US11149037, Example 34
Type:
Small organic molecule
Emp. Form.:
C20H28ClN5O5S
Mol. Mass.:
485.985
SMILES:
CC(C)(O)COc1cccc(CN2CCN(CC2)C(=O)n2ccc(NS(C)(=O)=O)n2)c1Cl
Structure:
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