Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM50582221
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.007±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:
BDBM50582221
Synonyms:
CHEMBL5090028 | US11708359, Example 60
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
CC(C)(C)c1cccc(c1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:21.31,19.21,(59.02,-28.21,;59.02,-26.67,;60.35,-25.91,;60.34,-27.44,;57.69,-25.9,;56.35,-26.67,;55.02,-25.89,;55.03,-24.36,;56.37,-23.61,;57.69,-24.37,;56.38,-22.07,;57.7,-21.3,;56.37,-20.54,;55.04,-19.76,;53.72,-20.54,;53.7,-22.08,;55.03,-22.85,;52.38,-19.77,;52.38,-18.23,;51.05,-20.54,;50.65,-22.03,;49.16,-21.63,;49.56,-20.14,;48.84,-23.14,;47.3,-23.3,;46.68,-21.89,;45.17,-21.57,;47.82,-20.86,)|
Structure:
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