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Ligand · 1OI

1OI · 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

1OI, 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one (C12 H9 N O2 S, 231.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
1OI
Formula
C12 H9 N O2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

1OI in 3 structures; the first of them:

  • 7OM1 · Tankyrase 2 in complex with an inhibitor (OUL220) · 1OI AAA1201 · binds PHE1030, HIS1031, GLY1032, TYR1050, TYR1060, PHE1061, ALA1062, LYS1067 and 4 more
  • 7OUW · PARP15 catalytic domain in complex with OUL220 · 1OI A701 · binds PHE558, HIS559, GLY560, ASN582, TYR591, PHE592, ALA593, TYR598 and 3 more
  • 7OUW · PARP15 catalytic domain in complex with OUL220 · 1OI A701 · binds PHE558, HIS559, GLY560, ASN582, TYR591, PHE592, ALA593, TYR598 and 3 more

Residues it binds most

TYR 4, PHE 4, ALA 4, GLY 4, HIS 4, SER 4, ASN 2, GLU 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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