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Ligand · WPE

WPE · N-{2-[(4S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl]ethyl}furan-2-carboxamide

WPE, N-{2-[(4S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl]ethyl}furan-2-carboxamide (C22 H20 Cl N3 O2, 393.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
WPE
Formula
C22 H20 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WPE in 2 structures; the first of them:

  • 2WPE · Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline… · WPE A1000 · binds GLY13, SER14, LEU17, GLU18, TRP21, GLY49, VAL53, TYR110 and 4 more
  • 2WPE · Trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline… · WPE A1000 · binds GLY13, SER14, LEU17, GLU18, TRP21, GLY49, VAL53, TYR110 and 4 more

Residues it binds most

GLY 8, LEU 8, GLU 8, ILE 8, MET 8, PHE 8, SER 8, TRP 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • NA · Sodium ion
  • CL · Chloride ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • MRD · (4R)-2-methylpentane-2,4-diol

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