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Ligand · FSU

FSU · 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

FSU, 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (C13 H16 N2 O3, 248.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
FSU
Formula
C13 H16 N2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

FSU in 4 structures; the first of them:

  • 4ZZX · Structure of PARP2 catalytic domain bound to an isoindoli inhibitor · FSU A1584 · binds SER328, ILE331, TRP427, HIS428, GLY429, GLY454, TYR455, TYR462 and 6 more
  • 4ZZZ · Structure of human PARP1 catalytic domain bound to an isoindoli inhibitor · FSU A2019 · binds ASP766, TRP861, HIS862, GLY863, TYR889, TYR896, PHE897, ALA898 and 4 more
  • 4ZZX · Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor · FSU A1584 · binds SER328, ILE331, TRP427, HIS428, GLY429, GLY454, TYR455, TYR462 and 6 more
  • 4ZZZ · Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor · FSU A2019 · binds ASP766, TRP861, HIS862, GLY863, TYR889, TYR896, PHE897, ALA898 and 4 more

Residues it binds most

TYR 8, GLY 8, SER 8, ALA 8, GLU 8, HIS 8, LYS 8, PHE 8, TRP 8, ASP 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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