Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM474412
Substrate
n/a
Meas. Tech.
MAGL Enzymatic Assay (30 minute)
IC50
80.6±n/a nM
Citation
 Brodney, MA; Butler, CR; McAllister, LA; Helal, CJ; O''Neil, SV; Verhoest, PR Heterocyclic spiro compounds as MAGL inhibitors US Patent  US10858373 Publication Date 12/8/2020 
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:
BDBM474412
Synonyms:
4-(8-{[(2,5-Dioxopyrrolidin-1-yl)oxy]carbonyl}-1-oxa-8-azaspiro[4.5]dec-3-yl)benzonitrile | US10858373, Example 10
Type:
Small organic molecule
Emp. Form.:
C20H21N3O5
Mol. Mass.:
383.3978
SMILES:
O=C(ON1C(=O)CCC1=O)N1CCC2(CC(CO2)c2ccc(cc2)C#N)CC1
Structure:
Search PDB for entries with ligand similarity: