Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM50582222
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.024±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:
BDBM50582222
Synonyms:
CHEMBL5074982 | US11708359, Example 71
Type:
Small organic molecule
Emp. Form.:
C23H28N2O3
Mol. Mass.:
380.48
SMILES:
CC1(CC1)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.32,19.22,(81.16,-28.5,;81.16,-26.95,;81.56,-25.46,;82.65,-26.55,;79.83,-26.18,;78.5,-26.95,;77.17,-26.18,;77.18,-24.64,;78.52,-23.89,;79.83,-24.65,;78.52,-22.35,;79.85,-21.58,;78.52,-20.82,;77.18,-20.04,;75.86,-20.82,;75.85,-22.36,;77.18,-23.13,;74.53,-20.05,;74.53,-18.51,;73.2,-20.82,;72.8,-22.31,;71.31,-21.91,;71.71,-20.42,;70.99,-23.42,;69.45,-23.58,;68.82,-22.17,;67.31,-21.85,;69.97,-21.14,)|
Structure:
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