GL1X · GenesisL1 explorer

Ligand · 3J9

3J9 · (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine

3J9, (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine (C20 H20 F N3 O3, 369.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
3J9
Formula
C20 H20 F N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3J9 in 2 structures; the first of them:

  • 4R5N · 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein… · 3J9 A502 · binds GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96, VAL130 and 11 more
  • 4R5N · 8-tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein… · 3J9 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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