Ki Summary

Reaction Details

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Target

Monoglyceride lipase

Ligand

BDBM581630

Substrate/Competitor

n/a

Meas. Tech.

Biological Assay

IC50

0.250±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

More Info.:

Get all data from this article, Assay Method

Monoglyceride lipase

Name:

Monoglyceride lipase

Synonyms:

Type:

Hydrolase

Mol. Mass.:

33264.56

Organism:

Homo sapiens (Human)

Description:

Human recombinant MGL (Cayman Chemical, cat# 10008354).

Residue:

303

Sequence:

MPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWKPTGTPKALIFVSHGAGEHSGRYEE
LARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLG
HSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNLVLPNLSLGPID
SSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADR
LCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTA
SPP

BDBM581630

n/a

Name

BDBM581630

Synonyms:

(2s,4s)-2-((R*)-6-(4-(Trifluoromethyl)phenyl)-2-azaspiro[3.4]octane-2-carbonyl)- 7-oxa-5-azaspiro[3.4]octan-6-one | US11505546, Example 45

Type

Small organic molecule

Emp. Form.

C21H23F3N2O3

Mol. Mass.

408.4141

SMILES

FC(F)(F)c1ccc(cc1)[C@@H]1CCC2(CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)C1 |r,wU:19.20,wD:10.10,21.23,(9.22,.19,;8.57,-1.21,;9.46,-2.47,;10.11,-1.08,;7.04,-1.35,;6.39,-2.74,;4.85,-2.88,;3.97,-1.62,;4.62,-.22,;6.15,-.09,;2.43,-1.62,;1.52,-2.86,;.06,-2.39,;.06,-.85,;-.18,.67,;-1.7,.43,;-1.46,-1.09,;-2.95,1.34,;-2.95,2.88,;-4.36,.71,;-4.75,-.78,;-6.24,-.38,;-5.84,1.11,;-6.16,-1.92,;-7.6,-2.47,;-8.57,-1.27,;-10.11,-1.15,;-7.73,.02,;1.52,-.37,)|

Structure