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Ligand · 1HL

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

1HL, N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide (C19 H15 F4 N5 O2, 421.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1HL
Formula
C19 H15 F4 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1HL in 2 structures; the first of them:

  • 4J1F · CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid… · 1HL A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 14 more
  • 4J1F · Crystal structure of bace-1 in complex with 5-cyano-pyridine-2- carboxylic acid… · 1HL A504 · binds GLY72, GLN73, GLY74, TYR75, LEU91, ASP93, GLY95, SER96 and 14 more

Residues it binds most

GLY 2, THR 2, ASP 2, ILE 2, SER 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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