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Target
Monoglyceride lipase
Ligand
BDBM50566997
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
7.0±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:
BDBM50566997
Synonyms:
CHEMBL4862009
Type:
Small organic molecule
Emp. Form.:
C17H18Cl2N2O4
Mol. Mass.:
385.242
SMILES:
Clc1ccc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)c(Cl)c1 |r,wD:13.13,15.23,(64.82,-38.38,;66.16,-37.62,;67.5,-38.39,;68.83,-37.62,;68.83,-36.09,;70.16,-35.32,;71.49,-36.1,;72.83,-35.33,;73.22,-33.85,;74.71,-34.25,;74.31,-35.73,;76.04,-33.48,;76.04,-31.94,;77.38,-34.25,;77.77,-35.73,;79.26,-35.33,;78.86,-33.85,;79.25,-36.87,;80.71,-37.36,;81.62,-36.12,;83.16,-36.12,;80.72,-34.87,;67.5,-35.31,;67.51,-33.77,;66.16,-36.08,)|
Structure:
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