Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM483693
Substrate
n/a
Meas. Tech.
In Vitro Competitive Activity-Based Protein Assay
IC50
<100±n/a nM
Citation
 Grice, CA; Wiener, JJ; Weber, OD; Duncan, KK Pyrazole MAGL inhibitors US Patent  US11655217 Publication Date 5/23/2023 
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:
BDBM483693
Synonyms:
4-chloro-1-(1-((6- (trifluoromethyl)- benzo[b]thiophen-2- yl)methyl)-1,8- diazaspiro[4.5]- decane-8- carbonyl)-1H- pyrazole-3- carboxylic acid | US10927105, Ex 139 | US11655217, Example 139
Type:
Small organic molecule
Emp. Form.:
C23H22ClF3N4O3S
Mol. Mass.:
526.959
SMILES:
OC(=O)c1nn(cc1Cl)C(=O)N1CCC2(CCCN2Cc2cc3ccc(cc3s2)C(F)(F)F)CC1
Structure:
Search PDB for entries with ligand similarity: