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Target
Monoglyceride lipase
Ligand
BDBM50566999
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
3.2±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:
BDBM50566999
Synonyms:
CHEMBL4868762
Type:
Small organic molecule
Emp. Form.:
C18H18ClF3N2O4
Mol. Mass.:
418.795
SMILES:
FC(F)(F)c1ccc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)cc1Cl |r,wD:16.16,18.26,(23.11,-7.75,;24.44,-8.52,;24.44,-10.06,;23.1,-9.28,;25.78,-7.75,;27.12,-8.53,;28.45,-7.76,;28.45,-6.22,;29.78,-5.46,;31.11,-6.23,;32.45,-5.47,;32.84,-3.98,;34.33,-4.39,;33.93,-5.87,;35.66,-3.62,;35.66,-2.08,;37,-4.39,;37.39,-5.87,;38.88,-5.47,;38.48,-3.98,;38.87,-7.01,;40.33,-7.49,;41.24,-6.25,;42.78,-6.26,;40.34,-5,;27.12,-5.45,;25.78,-6.21,;24.45,-5.43,)|
Structure:
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