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Ligand · DWD

DWD · (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine

DWD, (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine (C23 H22 N4 O3, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
DWD
Formula
C23 H22 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

DWD in 2 structures; the first of them:

  • 4FRK · Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a · DWD A405 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more
  • 4FRK · Crystal structure of BACE1 in complex with aminooxazoline xanthene 11A · DWD A405 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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