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Ligand · 1HM

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

1HM, N-{3-[(4S,6S)-2-amino-4-(fluoromethyl)-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 PDB…

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

Binding sites

1HM in 2 structures; the first of them:

  • 4J1E · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid… · 1HM A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 14 more
  • 4J1E · Crystal structure of bace-1 in complex with 5-cyano-pyridine-2- carboxylic acid… · 1HM A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 14 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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