Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM609871
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.019±n/a nM
Citation
 Ameriks, MK; Berry, CB; Garcia-Reynaga, P; Laforteza, BN; Liang, JT Monoacylglycerol lipase modulators US Patent  US11708359 Publication Date 7/25/2023 
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:
BDBM609871
Synonyms:
(rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-3-azabicyclo[4.1.0]heptane-3- carbonyl)-7-oxa-5-azaspiro[3.4]octan-6-one | US11708359, Example 62
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
CC(C)(C)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(5.59,-5.26,;6.36,-3.93,;7.9,-3.93,;7.13,-5.26,;5.59,-2.59,;4.05,-2.59,;3.28,-1.26,;4.05,.08,;5.59,.08,;6.36,-1.26,;3.28,1.41,;4.62,2.18,;3.28,2.95,;1.95,3.72,;.62,2.95,;.62,1.41,;1.95,.64,;-.72,3.72,;-.72,5.26,;-2.05,2.95,;-2.45,1.46,;-3.94,1.86,;-3.54,3.35,;-4.1,.33,;-5.6,.01,;-6.37,1.34,;-7.9,1.5,;-5.34,2.49,)|
Structure:
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