Reaction Details  Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM50255775
Substrate
n/a
Meas. Tech.
ChEBML_1687487
IC50
3.0±n/a nM
Citation
 McAllister, LA; Butler, CR; Mente, S; O'Neil, SV; Fonseca, KR; Piro, JR; Cianfrogna, JA; Foley, TL; Gilbert, AM; Harris, AR; Helal, CJ; Johnson, DS; Montgomery, JI; Nason, DM; Noell, S; Pandit, J; Rogers, BN; Samad, TA; Shaffer, CL; da Silva, RG; Uccello, DP; Webb, D; Brodney, MA Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. J Med Chem 61:3008-3026 (2018) [PubMed]  Article
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:
BDBM50255775
Synonyms:
CHEMBL4079080
Type:
Small organic molecule
Emp. Form.:
C18H17F4N3O3
Mol. Mass.:
399.3395
SMILES:
[H][C@@]12CN(C[C@]1([H])[C@H]2c1ccn(n1)-c1ccc(F)cc1)C(=O)O[C@H](CO)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: