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Ligand · DWB

DWB · (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine

DWB, (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine (C22 H16 Cl F N2 O3, 410.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
DWB
Formula
C22 H16 Cl F N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

DWB in 2 structures; the first of them:

  • 4FRJ · Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l · DWB A403 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more
  • 4FRJ · Crystal structure of BACE1 in complex with aminooxazoline xanthene 9L · DWB A403 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more

Residues it binds most

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

Found with

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

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