Ki Summary

Reaction Details

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Target

Monoglyceride lipase

Ligand

BDBM609871

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2299661

IC50

0.019000±n/a nM

Citation

Sabnis, RW; Sabnis, AR Monoacylglycerol Lipase Modulators for Treating Autism Spectrum Disorders. ACS Med Chem Lett14:545-546 (2023) [PubMed]

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

BDBM609871

n/a

Name

BDBM609871

Synonyms:

(rac)-(2s,4s)-2-(6-(4-(tert-Butyl)phenyl)-3-azabicyclo[4.1.0]heptane-3- carbonyl)-7-oxa-5-azaspiro[3.4]octan-6-one | US11708359, Example 62

Type

Small organic molecule

Emp. Form.

C23H30N2O3

Mol. Mass.

382.4959

SMILES

CC(C)(C)c1ccc(cc1)C12CC1CN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2 |r,wU:19.21,wD:21.24,(5.59,-5.26,;6.36,-3.93,;7.9,-3.93,;7.13,-5.26,;5.59,-2.59,;4.05,-2.59,;3.28,-1.26,;4.05,.08,;5.59,.08,;6.36,-1.26,;3.28,1.41,;4.62,2.18,;3.28,2.95,;1.95,3.72,;.62,2.95,;.62,1.41,;1.95,.64,;-.72,3.72,;-.72,5.26,;-2.05,2.95,;-2.45,1.46,;-3.94,1.86,;-3.54,3.35,;-4.1,.33,;-5.6,.01,;-6.37,1.34,;-7.9,1.5,;-5.34,2.49,)|

Structure