GL1X · GenesisL1 explorer

Ligand · 2EX

2EX · (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one

2EX, (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one (C20 H19 F N4 O3, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
2EX
Formula
C20 H19 F N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2EX in 2 structures; the first of them:

  • 4N00 · Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS · 2EX A502 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 11 more
  • 4N00 · Discovery of 7-thp chromans: BACE1 inhibitors that reduce a-beta in the cns · 2EX A502 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 11 more

Residues it binds most

GLY 2, ASP 2, ILE 2, SER 2, THR 2, TRP 2, GLN 2, LEU 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion

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