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Ligand · DWA

DWA · (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine

DWA, (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine (C21 H18 F N3 O2, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
DWA
Formula
C21 H18 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

DWA in 2 structures; the first of them:

  • 4FRI · Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6 · DWA A404 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, ASN37 and 12 more
  • 4FRI · Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6 · DWA A404 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, ASN37 and 12 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide

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