Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM521441
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:
BDBM521441
Synonyms:
US11149037, Example 25
Type:
Small organic molecule
Emp. Form.:
C28H34F3N5O4
Mol. Mass.:
561.5959
SMILES:
CC(=O)Nc1ccn(n1)C(=O)N1CCC2(CCN(Cc3cc(cc(c3)C3(CCCC3)C(O)=O)C(F)(F)F)C2)CC1
Structure:
Search PDB for entries with ligand similarity: