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Ligand · 4RW

4RW · (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

4RW, (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (C8 H14 N2 S, 170.3 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 residues it…

Component
4RW
Formula
C8 H14 N2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4RW in 2 structures; the first of them:

  • 4ZSM · BACE crystal structure with bicyclic aminothiazine fragment · 4RW A401 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE118, ASP228 and 2 more
  • 4ZSM · Bace crystal structure with bicyclic aminothiazine fragment · 4RW A401 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, ILE118, ASP228 and 2 more

Residues it binds most

ASP 4, GLY 4, ILE 4, LEU 4, PHE 4, SER 4, THR 4, TYR 4 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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