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Ligand · 6WY

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

6WY, 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione (C22 H21 F N4 O4, 424.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
6WY
Formula
C22 H21 F N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

6WY in 2 structures; the first of them:

  • 5KPO · Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione… · 6WY A1101 · binds ASP766, LEU769, ASP770, TRP861, HIS862, GLY863, LEU877, ARG878 and 11 more
  • 5KPO · Structure of human PARP1 catalytic domain bound to a quinazoline-2, 4(1H,3H)-dione… · 6WY A1101 · binds ASP766, LEU769, ASP770, TRP861, HIS862, GLY863, LEU877, ARG878 and 11 more

Residues it binds most

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

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