Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM581613
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.10±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:
BDBM581613
Synonyms:
(2s,4s)-2-(2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-7-azaspiro[3.5]nonane-7- carbonyl)-7-oxa-5-azaspiro[3.4]octan-6-one | US11505546, Example 28
Type:
Small organic molecule
Emp. Form.:
C22H24F2N2O5
Mol. Mass.:
434.4332
SMILES:
FC1(F)Oc2ccc(cc2O1)C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:22.25,wD:24.28,(10.39,-1.7,;9.06,-2.47,;10.39,-3.24,;8.16,-3.72,;6.69,-3.24,;5.36,-4.01,;4.02,-3.24,;4.02,-1.7,;5.36,-.93,;6.69,-1.7,;8.16,-1.22,;2.69,-.93,;1.2,-1.33,;.8,.16,;2.29,.56,;-.53,-.61,;-1.86,.16,;-1.86,1.7,;-.53,2.47,;.8,1.7,;-3.2,2.47,;-3.2,4.01,;-4.53,1.7,;-4.93,.21,;-6.42,.61,;-6.02,2.1,;-6.58,-.92,;-8.08,-1.24,;-8.85,.09,;-10.39,.09,;-7.82,1.24,)|
Structure:
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