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Target
Monoglyceride lipase
Ligand
BDBM50567005
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
5.4±n/a nM
Citation
 Ikeda, S; Sugiyama, H; Tokuhara, H; Murakami, M; Nakamura, M; Oguro, Y; Aida, J; Morishita, N; Sogabe, S; Dougan, DR; Gay, SC; Qin, L; Arimura, N; Takahashi, Y; Sasaki, M; Kamada, Y; Aoyama, K; Kimoto, K; Kamata, M Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 J Med Chem 64:11014-11044 (2021) [PubMed]  Article 
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:
BDBM50567005
Synonyms:
CHEMBL4845748
Type:
Small organic molecule
Emp. Form.:
C19H21F3N2O4
Mol. Mass.:
398.3762
SMILES:
Cc1cc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)ccc1C(F)(F)F |r,wD:12.12,14.22,(69.06,-16.92,;70.39,-17.7,;71.72,-16.94,;73.05,-17.71,;74.38,-16.95,;75.72,-17.72,;77.05,-16.96,;77.45,-15.47,;78.93,-15.88,;78.54,-17.36,;80.27,-15.11,;80.27,-13.57,;81.6,-15.88,;81.99,-17.36,;83.48,-16.96,;83.08,-15.47,;83.47,-18.5,;84.93,-18.98,;85.84,-17.74,;87.38,-17.75,;84.94,-16.49,;73.05,-19.25,;71.72,-20.02,;70.38,-19.24,;69.04,-20.01,;67.71,-19.23,;69.04,-21.55,;67.7,-20.77,)|
Structure:
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