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Target
Monoglyceride lipase
Ligand
BDBM50567001
Substrate
n/a
Meas. Tech.
ChEMBL_2102191 (CHEMBL4810587)
Kd
1.5±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:
BDBM50567001
Synonyms:
CHEMBL4873898
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2O4
Mol. Mass.:
364.823
SMILES:
Cc1ccc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)cc1Cl |r,wD:13.13,15.23,(67.2,-7.87,;68.53,-7.11,;69.87,-7.88,;71.2,-7.11,;71.2,-5.58,;72.54,-4.81,;73.87,-5.59,;75.21,-4.82,;75.6,-3.34,;77.09,-3.74,;76.69,-5.22,;78.42,-2.97,;78.42,-1.43,;79.75,-3.74,;80.14,-5.22,;81.63,-4.82,;81.23,-3.34,;81.62,-6.36,;83.08,-6.85,;84,-5.61,;85.54,-5.61,;83.1,-4.35,;69.87,-4.8,;68.54,-5.56,;67.21,-4.79,)|
Structure:
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