GL1X · GenesisL1 explorer

Ligand · 32X

32X · 5-aminoisoquinolin-1(4H)-one

32X, 5-aminoisoquinolin-1(4H)-one (C9 H8 N2 O, 160.2 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 it binds most and the ligands found…

Component
32X
Formula
C9 H8 N2 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

32X in 4 structures; the first of them:

  • 4PNQ · Crystal Structure of human Tankyrase 2 in complex with 5AIQ. · 32X A1202 · binds PHE1030, HIS1031, GLY1032, TYR1060, PHE1061, ALA1062, LYS1067, SER1068 and 2 more
  • 4UVL · Crystal structure of human tankyrase 2 in complex with 5-amino-1,2… · 32X A2165 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 3 more
  • 4PNQ · Crystal structure of human tankyrase 2 in complex with 5AIQ. · 32X A1202 · binds PHE1030, HIS1031, GLY1032, TYR1060, PHE1061, ALA1062, LYS1067, SER1068 and 2 more
  • 4UVL · Crystal structure of human tankyrase 2 in complex with 5-amino-1,2… · 32X A2165 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 3 more

Residues it binds most

TYR 10, PHE 10, ALA 10, GLU 10, GLY 10, HIS 10, LYS 10, SER 10 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • IPA · Isopropyl alcohol
  • PEG · Di(hydroxyethyl)ether

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