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Ligand · G18

G18 · 4H-thieno[2,3-c]isoquinolin-5-one

G18, 4H-thieno[2,3-c]isoquinolin-5-one (C11 H7 N O S, 201.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
G18
Formula
C11 H7 N O S
Class
ligand
Structures
6
PDB entries
3

Binding sites

G18 in 6 structures; the first of them:

  • 4AVW · Crystal structure of human tankyrase 2 in complex with TIQ-A · G18 A2162 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more
  • 4PNR · Crystal Structure of human Tankyrase 2 in complex with TIQ-A. · G18 A1202 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 3 more
  • 7OQQ · PARP15 catalytic domain in complex with TIQ-A · G18 A702 · binds PHE558, HIS559, GLY560, ASN582, TYR591, PHE592, ALA593, TYR598 and 3 more
  • 4AVW · Crystal structure of human tankyrase 2 in complex with tiq-a · G18 A2162 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more
  • 4PNR · Crystal structure of human tankyrase 2 in complex with tiq-a. · G18 A1202 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 3 more
  • 7OQQ · PARP15 catalytic domain in complex with tiq-a · G18 A702 · binds PHE558, HIS559, GLY560, ASN582, TYR591, PHE592, ALA593, TYR598 and 3 more

Residues it binds most

TYR 12, PHE 12, SER 12, ALA 12, GLY 12, HIS 12, GLU 10, LYS 10, ILE 8, ASN 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EOH · Ethanol
  • PEG · Di(hydroxyethyl)ether

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