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Ligand · 1HQ

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

1HQ, N-{3-[(4S)-2-amino-4-(difluoromethyl)-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). Every…

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

Binding sites

1HQ in 2 structures; the first of them:

  • 4J17 · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid… · 1HQ A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 12 more
  • 4J17 · Crystal structure of bace-1 in complex with 5-cyano-pyridine-2- carboxylic acid… · 1HQ 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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