Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM444474
Substrate
n/a
Meas. Tech.
Fluorescent Assay
IC50
55±n/a nM
Citation
 Makriyannis, A; Malamas, M; Lamani, M; Farah, SI ABHD6 and dual ABHD6/MGL inhibitors and their uses US Patent  US10662159 Publication Date 5/26/2020 
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:
BDBM444474
Synonyms:
US10662159, Example 67 | US10662159, Example 68
Type:
Small organic molecule
Emp. Form.:
C24H21F8NO3
Mol. Mass.:
523.4157
SMILES:
Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 |(-8.79,-.56,;-7.25,-.56,;-6.48,-1.9,;-4.94,-1.9,;-4.17,-.56,;-4.94,.77,;-6.48,.77,;-2.63,-.56,;-1.86,.77,;-.32,.77,;.77,-.32,;1.86,.77,;.77,1.86,;2.76,2.02,;4.23,1.54,;4.23,,;2.76,-.48,;5.47,-.91,;5.31,-2.44,;6.88,-.28,;8.13,-1.18,;9.53,-.56,;10.94,.07,;8.91,.85,;10.16,-1.96,;7.97,-2.72,;7.81,-4.25,;6.43,-2.55,;9.5,-2.88,;-1.86,-1.9,;-.32,-1.9,;.45,-3.23,;-.32,-4.56,;.45,-5.9,;-1.86,-4.56,;-2.63,-3.23,)|
Structure:
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