Reaction Details | |||
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Report a problem with these data | |||
Target | Monoglyceride lipase | ||
Ligand | BDBM630876 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biological Assay | ||
IC50 | 0.100±n/a nM | ||
Citation | Alcazar, J; Ameriks, MK; Berry, CB; Garcia-Reynaga, P; Laforteza, BN; Samant, AV Cyclobutyl amide monoacylglycerol lipase modulators US Patent US11802111 Publication Date 10/31/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
Monoglyceride lipase | |||
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: |
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BDBM630876 | |||
n/a | |||
Name | BDBM630876 | ||
Synonyms: | (7-((3,6-Dimethyl-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azaspiro[3.5]nonan-2-yl)((1s,3s)-3-hydroxy-3-methylcyclobutyl)methanone | US11802111, Example 466 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H29F3N2O3 | ||
Mol. Mass. | 426.4725 | ||
SMILES | Cc1cc(c(C)nc1OC1CCC2(CN(C2)C(=O)[C@H]2C[C@@](C)(O)C2)CC1)C(F)(F)F |r,wU:20.23,18.19,wD:20.22,(5.29,-3.62,;5.29,-2.08,;6.62,-1.31,;6.62,.23,;5.29,1,;5.29,2.54,;3.95,.23,;3.95,-1.31,;2.62,-2.08,;1.29,-1.31,;-.05,-2.08,;-1.38,-1.31,;-1.38,.23,;-2.87,-.17,;-3.27,1.31,;-1.78,1.71,;-4.6,2.08,;-4.6,3.62,;-5.93,1.31,;-6.33,-.17,;-7.82,.23,;-8.22,-1.26,;-9.29,.64,;-7.42,1.71,;-.05,1,;1.29,.23,;7.95,1,;7.95,2.54,;9.29,.23,;9.29,1.77,)| | ||
Structure |