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Target
Monoglyceride lipase
Ligand
BDBM50567003
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
4.1±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:
BDBM50567003
Synonyms:
CHEMBL4866307
Type:
Small organic molecule
Emp. Form.:
C18H18ClF3N2O4
Mol. Mass.:
418.795
SMILES:
FC(F)(F)c1cc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)ccc1Cl |r,wD:15.15,17.25,(23.72,-17.25,;23.72,-18.79,;22.38,-19.56,;22.37,-18.02,;25.05,-19.57,;26.38,-18.8,;27.71,-19.58,;29.05,-18.82,;30.38,-19.59,;31.71,-18.82,;32.11,-17.34,;33.59,-17.74,;33.2,-19.23,;34.93,-16.97,;34.93,-15.43,;36.26,-17.74,;36.65,-19.22,;38.14,-18.82,;37.74,-17.34,;38.13,-20.36,;39.59,-20.85,;40.5,-19.61,;42.04,-19.61,;39.6,-18.36,;27.71,-21.11,;26.38,-21.88,;25.04,-21.11,;23.7,-21.87,)|
Structure:
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