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Ligand · D7N

D7N · 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

D7N, 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (C20 H24 F3 N3 O2, 395.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
D7N
Formula
C20 H24 F3 N3 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

D7N in 4 structures; the first of them:

  • 4ZZY · Structure of human PARP2 catalytic domain bound to an isoindoli inhibitor · D7N A1584 · binds SER328, ILE331, GLN332, TRP427, HIS428, GLY429, GLY454, TYR455 and 8 more
  • 5A00 · Structure of human PARP1 catalytic domain bound to an isoindoli inhibitor · D7N A2012 · binds GLN759, VAL762, GLU763, TRP861, HIS862, GLY863, THR887, GLY888 and 9 more
  • 4ZZY · Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor · D7N A1584 · binds SER328, ILE331, GLN332, TRP427, HIS428, GLY429, GLY454, TYR455 and 8 more
  • 5A00 · Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor · D7N A2012 · binds GLN759, VAL762, GLU763, TRP861, HIS862, GLY863, THR887, GLY888 and 9 more

Residues it binds most

TYR 4, GLY 4, GLU 4, SER 4, ALA 4, ASN 4, GLN 4, HIS 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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