Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM483692
Substrate
n/a
Meas. Tech.
In Vitro Competitive Activity-Based Protein Profiling
IC50
<100±n/a nM
Citation
 Grice, CA; Wiener, JJ; Weber, OD; Duncan, KK Pyrazole MAGL inhibitors US Patent  US10927105 Publication Date 2/23/2021 
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:
BDBM483692
Synonyms:
4-chloro-1-(2-(4- (pyrrolidin-1-yl)-2- (trifluoromethyl)- benzyl)-2,8- diazaspiro[4.5]- decane-8-carbonyl)- 1H-pyrazole-3- carboxylic acid | US10927105, Ex 138 | US11655217, Example 138
Type:
Small organic molecule
Emp. Form.:
C25H29ClF3N5O3
Mol. Mass.:
539.978
SMILES:
OC(=O)c1nn(cc1Cl)C(=O)N1CCC2(CCN(Cc3ccc(cc3C(F)(F)F)N3CCCC3)C2)CC1
Structure:
Search PDB for entries with ligand similarity: