BDBM639353 2-(1-Methyl-1H-imidazol-2-yl)ethyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-N-({2-ethyl-3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl}sulfonyl)-S-alaninate 4-methylbenzenesulfonate::US20230391761, Example 5

SMILES COCC12CC(n3ncc(Nc4ncc5cc(Cl)c(C6CCN(C7(C)COC7)CC6)cc5n4)c3C)(C1)C2

InChI Key InChIKey=UHRIYOJEACOYON-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 639353   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 639353BDBM639353(6-chloro-N-{1-[3- (methoxymethyl)bicyclo[1.1.1] pe...)
Affinity DataIC50: 0.631nMAssay Description:The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cells...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
6/15/2026
Entry Details US Patent