Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM463978
Substrate
n/a
Meas. Tech.
In Vitro Competitive Activity-Based Protein Profiling Assay
IC50
<100±n/a nM
Citation
 Buzard, DJ; Shaghafi, MB; Cisar, JS; Grice, CA; Jones, TK; Weber, OD Spirocycle compounds and methods of making and using same US Patent  US10781211 Publication Date 9/22/2020 
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:
BDBM463978
Synonyms:
US10781211, Example 202
Type:
Small organic molecule
Emp. Form.:
C24H28F9N3O2
Mol. Mass.:
561.4836
SMILES:
FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3cc(cc(c3)C(F)(F)F)N3CCCC3)C2)CC1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: