Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM50567006
Substrate
n/a
Meas. Tech.
ChEMBL_2102182 (CHEMBL4810578)
IC50
7.1±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:
BDBM50567006
Synonyms:
CHEMBL4856861
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2O4
Mol. Mass.:
364.823
SMILES:
Cc1cc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)ccc1Cl |r,wD:12.12,14.22,(2.17,-31.64,;3.5,-32.42,;4.84,-31.65,;6.16,-32.43,;7.5,-31.67,;8.83,-32.44,;10.17,-31.67,;10.56,-30.19,;12.05,-30.59,;11.65,-32.08,;13.38,-29.82,;13.38,-28.28,;14.71,-30.59,;15.11,-32.07,;16.59,-31.68,;16.19,-30.19,;16.58,-33.22,;18.05,-33.7,;18.96,-32.46,;20.5,-32.46,;18.06,-31.21,;6.16,-33.96,;4.83,-34.73,;3.49,-33.96,;2.16,-34.73,)|
Structure:
Search PDB for entries with ligand similarity: