Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM474405
Substrate
n/a
Meas. Tech.
MAGL Enzymatic Assay (0 minute)
IC50
59.9±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
More Info.:
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:
BDBM474405
Synonyms:
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(tetrahydro-2H-pyran-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate | US10858373, Example 3
Type:
Small organic molecule
Emp. Form.:
C18H26F6N2O4
Mol. Mass.:
448.4005
SMILES:
FC(F)(F)C(OC(=O)N1CCC2(CC1)CN(CC1CCCOC1)CCO2)C(F)(F)F