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Ligand · 1H5

1H5 · N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide

1H5, N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide (C18 H14 F3 N5 O2, 389.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1H5
Formula
C18 H14 F3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1H5 in 2 structures; the first of them:

  • 4J0Z · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid… · 1H5 A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 13 more
  • 4J0Z · Crystal structure of bace-1 in complex with 5-cyano-pyridine-2- carboxylic acid… · 1H5 A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 13 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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