Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581504
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.60±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:
BDBM581504
Synonyms:
(2s,4s)-2-(2-(o-Tolyl)-7-azaspiro[3.5]nonane-7-carbonyl)-7-oxa-5- azaspiro[3.4]octan-6-one | US11505546, Example 4
Type:
Small organic molecule
Emp. Form.:
C22H28N2O3
Mol. Mass.:
368.4693
SMILES:
Cc1ccccc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:18.20,wD:20.23,(7.15,.61,;7.15,-.93,;8.48,-1.7,;8.48,-3.24,;7.15,-4.01,;5.82,-3.24,;5.82,-1.7,;4.48,-.93,;2.99,-1.33,;2.6,.16,;4.08,.56,;1.26,-.61,;-.07,.16,;-.07,1.7,;1.26,2.47,;2.6,1.7,;-1.41,2.47,;-1.41,4.01,;-2.74,1.7,;-3.14,.21,;-4.63,.61,;-4.23,2.1,;-4.63,-.93,;-6.09,-1.41,;-7,-.16,;-8.48,.24,;-6.09,1.09,)|
Structure:
Search PDB for entries with ligand similarity: