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Ligand · 3WP

3WP · (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

3WP, (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (C11 H12 F2 N2 S, 242.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
3WP
Formula
C11 H12 F2 N2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3WP in 2 structures; the first of them:

  • 4X2L · Crystal structure of human BACE-1 bound to Compound 6 · 3WP A401 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE110, TRP115 and 4 more
  • 4X2L · Crystal structure of human bace-1 bound to compound 6 · 3WP A401 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE110, TRP115 and 4 more

Residues it binds most

ASP 2, GLY 2, ILE 2, LEU 2, PHE 2, SER 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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