Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581642
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.100±n/a nM
Citation
 Alcazar, J; Ameriks, MK; Berry, CB; Garcia-Reynaga, P; Samant, AV; Vega-Ramiro, JA Azaspirocycles as monoacylglycerol lipase modulators US Patent  US11505546 Publication Date 11/22/2022 
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:
BDBM581642
Synonyms:
(rac)-(2s,4s)-2-(2-(3-(tert-Butyl)phenyl)-8-azaspiro[4.5]decane-8-carbonyl)-7-oxa- 5-azaspiro[3.4]octan-6-one | US11505546, Example 57
Type:
Small organic molecule
Emp. Form.:
C26H36N2O3
Mol. Mass.:
424.5756
SMILES:
CC(C)(C)c1cccc(c1)C1CCC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.24,wD:24.27,(7.66,-4.22,;8.36,-2.84,;9.9,-2.76,;9.2,-4.13,;7.52,-1.55,;8.1,-.13,;7.16,1.09,;5.63,.88,;5.05,-.54,;5.99,-1.76,;3.51,-.54,;2.6,-1.79,;1.14,-1.31,;1.14,.23,;2.6,.71,;-.19,-.54,;-1.53,.23,;-1.54,1.77,;-.19,2.54,;1.14,1.77,;-2.79,2.68,;-2.79,4.22,;-4.2,2.05,;-4.6,.56,;-6.08,.96,;-5.68,2.45,;-6,-.58,;-7.44,-1.13,;-8.41,.07,;-9.9,.21,;-7.57,1.36,)|
Structure:
Search PDB for entries with ligand similarity: