Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM626948
Substrate
n/a
Meas. Tech.
In Vitro Activity Assay
IC50
0.200±n/a nM
Citation
 Ameriks, MK; Berry, CB; Biró, K; Garcia-Reynaga, P; Samant, AV; Wade, WS Aryl piperidines as monoacylglycerol lipase modulators US Patent  US11787798 Publication Date 10/17/2023 
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:
BDBM626948
Synonyms:
(2s,4s)-2-(4-(4-(tert-Butyl)phenyl)piperidine-1-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one; | US11787798, Example 124
Type:
Small organic molecule
Emp. Form.:
C22H30N2O3
Mol. Mass.:
370.4852
SMILES:
CC(C)(C)c1ccc(cc1)C1CCN(CC1)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.19,wD:20.22,(7.6,-4.23,;7.6,-2.69,;8.93,-1.93,;8.93,-3.47,;6.27,-1.93,;4.93,-2.69,;3.6,-1.93,;3.6,-.38,;4.93,.38,;6.27,-.38,;2.26,.38,;.93,-.38,;-.4,.38,;-.4,1.93,;.93,2.69,;2.26,1.93,;-1.74,2.69,;-1.74,4.23,;-3.07,1.93,;-3.47,.44,;-4.96,.84,;-4.56,2.32,;-5.12,-.7,;-6.62,-1.02,;-7.39,.32,;-8.93,.43,;-6.36,1.46,)|
Structure:
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