Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM609880
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.034±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:
BDBM609880
Synonyms:
(rac)-(2s,4s)-2-(6-(4-(1-Methylcyclopropyl)phenyl)-3- azabicyclo[4.1.0]heptane-3-carbonyl)-7-oxa-5-azaspiro[3.4]octan-6-one | US11708359, Example 69
Type:
Small organic molecule
Emp. Form.:
C23H28N2O3
Mol. Mass.:
380.48
SMILES:
CC1(CC1)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.22,wD:21.25,(5.7,-5.26,;6.47,-3.93,;7.8,-4.7,;7.8,-3.16,;5.7,-2.59,;4.16,-2.59,;3.39,-1.26,;4.16,.08,;5.7,.08,;6.47,-1.26,;3.39,1.41,;4.72,2.18,;3.39,2.95,;2.05,3.72,;.72,2.95,;.72,1.41,;2.05,.64,;-.61,3.72,;-.61,5.26,;-1.95,2.95,;-2.35,1.46,;-3.83,1.86,;-3.43,3.35,;-3.99,.33,;-5.5,.01,;-6.27,1.34,;-7.8,1.5,;-5.24,2.49,)|
Structure:
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