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Ligand · 6WX

6WX · 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

6WX, 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione (C23 H23 F N4 O4, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
6WX
Formula
C23 H23 F N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

6WX in 2 structures; the first of them:

  • 5KPN · Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione… · 6WX A1101 · binds ASP766, LEU769, ASP770, TRP861, HIS862, GLY863, LEU877, ARG878 and 12 more
  • 5KPN · Structure of human PARP1 catalytic domain bound to a quinazoline-2, 4(1H,3H)-dione… · 6WX A1101 · binds ASP766, LEU769, ASP770, TRP861, HIS862, GLY863, LEU877, ARG878 and 12 more

Residues it binds most

TYR 4, ALA 4, ASP 4, GLY 4, ILE 4, LEU 4, GLU 4, ARG 4, HIS 4, LYS 4 (residue and the binding sites it lines).

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