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Ligand · WPF

WPF · 3-[(4S)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4H)-yl]-N,N-dimethylpropan-1-amine

WPF, 3-[(4S)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4H)-yl]-N,N-dimethylpropan-1-amine (C21 H26 Cl N3, 355.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
WPF
Formula
C21 H26 Cl N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

WPF in 2 structures; the first of them:

  • 2WPF · Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline… · WPF A1000 · binds GLY13, SER14, LEU17, GLU18, TRP21, ASN22, GLY49, VAL53 and 5 more
  • 2WPF · Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline… · WPF A1000 · binds GLY13, SER14, LEU17, GLU18, TRP21, ASN22, GLY49, VAL53 and 5 more

Residues it binds most

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

Found with

  • FAD · Flavin-adenine dinucleotide
  • BR · Bromide ion
  • CL · Chloride ion

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