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Ligand · P6J

P6J · N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide

P6J, N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide (C22 H21 F2 N5 O3 S, 473.5 g/mol), in the MolNFT structures on GenesisL1…

Component
P6J
Formula
C22 H21 F2 N5 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

P6J in 1 structure; the first of them:

  • 6PZ4 · Co-crystal structure of bace with inhibitor am-6494 · P6J A506 · binds LYS70, GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95 and 11 more

Residues it binds most

GLY 1, ASP 1, ILE 1, THR 1, TYR 1, ALA 1, ARG 1, GLN 1, LEU 1, LYS 1 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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