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Ligand · WP7

WP7 · (4S)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline

WP7, (4S)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline (C26 H27 Cl N4 O2, 463.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
WP7
Formula
C26 H27 Cl N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WP7 in 2 structures; the first of them:

  • 2WPC · Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline… · WP7 A1000 · binds GLY13, SER14, LEU17, GLU18, TRP21, ASN22, GLY49, VAL53 and 5 more
  • 2WPC · Trypanosoma brucei trypanothione reductase in complex with 3,4-dihydroquinazoline… · WP7 A1000 · binds GLY13, SER14, LEU17, GLU18, TRP21, ASN22, GLY49, VAL53 and 5 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

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