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Target
Monoglyceride lipase
Ligand
BDBM50566988
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
2.7±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:
BDBM50566988
Synonyms:
CHEMBL4860900
Type:
Small organic molecule
Emp. Form.:
C20H24ClFN2O4
Mol. Mass.:
410.867
SMILES:
CC(Oc1ccc(F)cc1Cl)C1CCN(CC1)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wD:19.20,21.30,(29.1,-8.47,;29.1,-6.93,;27.77,-6.16,;26.44,-6.93,;26.44,-8.46,;25.11,-9.23,;23.77,-8.45,;22.43,-9.22,;23.77,-6.91,;25.11,-6.15,;25.12,-4.61,;30.44,-6.17,;30.45,-4.63,;31.78,-3.87,;33.11,-4.64,;33.12,-6.18,;31.77,-6.94,;34.44,-3.87,;34.44,-2.33,;35.77,-4.63,;36.17,-6.12,;37.65,-5.72,;37.25,-4.24,;37.64,-7.27,;39.11,-7.75,;40.02,-6.51,;41.56,-6.51,;39.12,-5.26,)|
Structure:
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