Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM561090
Substrate
n/a
Meas. Tech.
MAGL Inhibitory Activity
IC50
41.0±n/a nM
Citation
 Benz, J; Grether, U; Hornsperger, B; Kuhn, B; Richter, H; Kocer, B; O''Hara, F; Ritter, M; Tsuchiya, S; Collin, L; Johnson, SE; Bell, C Piperazine derivatives as MAGL inhibitors US Patent  US11390610 Publication Date 7/19/2022 
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:
BDBM561090
Synonyms:
US11390610, Example 106
Type:
Small organic molecule
Emp. Form.:
C28H25F3N4O3
Mol. Mass.:
522.5183
SMILES:
COc1ccc(cc1C(F)(F)F)-c1ccc(cc1C)C(=O)N1CCN(CC1)c1nc2ccccc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: