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Target
Monoglyceride lipase
Ligand
BDBM50567002
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
3.8±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:
BDBM50567002
Synonyms:
CHEMBL4861633
Type:
Small organic molecule
Emp. Form.:
C19H18F6N2O4
Mol. Mass.:
452.3476
SMILES:
FC(F)(F)c1ccc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)cc1C(F)(F)F |r,wD:16.16,18.26,(.39,-21.34,;1.72,-22.11,;1.72,-23.65,;.38,-22.87,;3.06,-21.35,;4.4,-22.12,;5.73,-21.35,;5.73,-19.82,;7.06,-19.05,;8.39,-19.83,;9.73,-19.06,;10.12,-17.58,;11.61,-17.98,;11.21,-19.47,;12.94,-17.21,;12.94,-15.67,;14.28,-17.98,;14.67,-19.46,;16.16,-19.06,;15.76,-17.58,;16.15,-20.6,;17.61,-21.09,;18.52,-19.85,;20.06,-19.85,;17.62,-18.6,;4.4,-19.04,;3.06,-19.81,;1.73,-19.03,;1.74,-17.49,;.4,-19.8,;.39,-18.25,)|
Structure:
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