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Target
Monoglyceride lipase
Ligand
BDBM50566991
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
11±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:
BDBM50566991
Synonyms:
CHEMBL4872359
Type:
Small organic molecule
Emp. Form.:
C19H22ClFN2O4
Mol. Mass.:
396.84
SMILES:
Fc1ccc(COC2CCN(CC2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)c(Cl)c1 |r,wD:15.15,17.25,(1.98,-25.08,;3.32,-24.31,;4.66,-25.09,;5.99,-24.32,;5.99,-22.78,;7.33,-22.02,;8.66,-22.79,;9.99,-22.03,;10,-20.49,;11.33,-19.72,;12.66,-20.5,;12.67,-22.04,;11.33,-22.8,;13.99,-19.73,;13.99,-18.19,;15.33,-20.5,;15.72,-21.98,;17.21,-21.58,;16.81,-20.1,;17.2,-23.12,;18.66,-23.61,;19.57,-22.37,;21.11,-22.37,;18.67,-21.12,;4.66,-22.01,;4.67,-20.47,;3.33,-22.77,)|
Structure:
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