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Ligand · KU8

KU8 · 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one

KU8, 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one (C21 H21 F N4 O2, 380.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
KU8
Formula
C21 H21 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KU8 in 2 structures; the first of them:

  • 3C49 · Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor… · KU8 A601 · binds TRP383, HIS384, GLY385, LEU399, ARG400, MET402, SER405, GLY406 and 9 more
  • 3C49 · Human POLY(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor… · KU8 A601 · binds TRP383, HIS384, GLY385, LEU399, ARG400, MET402, SER405, GLY406 and 9 more

Residues it binds most

GLY 2, SER 2, TYR 2, ALA 2, ARG 2, GLU 2, HIS 2, ILE 2, LEU 2, LYS 2 (residue and the binding sites it lines).

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