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Ligand · NGJ

NGJ · 5-amino-3-ethylisoquinolin-1(2H)-one

NGJ, 5-amino-3-ethylisoquinolin-1(2H)-one (C11 H12 N2 O, 188.2 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 residues it binds most and the ligands…

Component
NGJ
Formula
C11 H12 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NGJ in 2 structures; the first of them:

  • 4UVP · Crystal structure of human tankyrase 2 in complex with 5-amino-3… · NGJ A2119 · binds PHE1030, HIS1031, GLY1032, SER1033, TYR1050, TYR1060, PHE1061, ALA1062 and 5 more
  • 4UVP · Crystal structure of human tankyrase 2 in complex with 5-amino-3… · NGJ A2119 · binds PHE1030, HIS1031, GLY1032, SER1033, TYR1050, TYR1060, PHE1061, ALA1062 and 5 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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