GL1X · GenesisL1 explorer

Ligand · 0EW

0EW · N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

0EW, N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (C22 H22 F4 N4 O5 S, 530.5 g/mol), in the MolNFT structures…

Component
0EW
Formula
C22 H22 F4 N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0EW in 2 structures; the first of them:

  • 7N66 · BACE-1 in complex with ligand 12 · 0EW A510 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 15 more
  • 7N66 · Bace-1 in complex with ligand 12 · 0EW A510 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 15 more

Residues it binds most

GLY 2, ILE 2, TYR 2, ASP 2, SER 2, THR 2, ALA 2, ARG 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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