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Target
Monoglyceride lipase
Ligand
BDBM50566989
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
2.8±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:
BDBM50566989
Synonyms:
CHEMBL4872007
Type:
Small organic molecule
Emp. Form.:
C21H26ClFN2O4
Mol. Mass.:
424.894
SMILES:
CCC(Oc1ccc(F)cc1Cl)C1CCN(CC1)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wD:20.21,22.31,(48.05,-9.57,;49.39,-8.81,;49.4,-7.27,;48.07,-6.49,;46.73,-7.26,;46.73,-8.79,;45.4,-9.56,;44.06,-8.79,;42.72,-9.55,;44.07,-7.24,;45.4,-6.48,;45.41,-4.94,;50.73,-6.5,;50.74,-4.96,;52.07,-4.2,;53.4,-4.98,;53.41,-6.51,;52.07,-7.28,;54.73,-4.21,;54.73,-2.67,;56.06,-4.97,;56.46,-6.46,;57.95,-6.06,;57.55,-4.57,;57.94,-7.6,;59.4,-8.08,;60.31,-6.84,;61.85,-6.85,;59.41,-5.59,)|
Structure:
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