GL1X · GenesisL1 explorer

Ligand · 1HH

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

1HH, N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide (C19 H14 F5 N5 O2, 439.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
1HH
Formula
C19 H14 F5 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1HH in 2 structures; the first of them:

  • 4J1I · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid… · 1HH A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 12 more
  • 4J1I · Crystal structure of bace-1 in complex with 5-cyano-pyridine-2- carboxylic acid… · 1HH A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 12 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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