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Ligand · 1H8

1H8 · N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide

1H8, N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide (C18 H16 F N5 O2, 353.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
1H8
Formula
C18 H16 F N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1H8 in 2 structures; the first of them:

  • 4J0P · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid… · 1H8 A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 12 more
  • 4J0P · Crystal structure of bace-1 in complex with 5-cyano-pyridine-2- carboxylic acid… · 1H8 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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