BDBM639354 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 maleate::US20230391761, Example 6

SMILES Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1C1CCN([C@H]2COC[C@H]2O)CC1

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 = 639354   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 639354BDBM639354((R)(3S,4S) or (R)(3R,4R) or (S)(3S,4S) or (S)(3R,4...)
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