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Ligand · 1H9

1H9 · 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one

1H9, 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one (C18 H12 Br N O2 S, 386.3 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…

Component
1H9
Formula
C18 H12 Br N O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1H9 in 2 structures; the first of them:

  • 7OTF · PARP15 catalytic domain in complex with OUL213 · 1H9 A701 · binds PHE558, HIS559, GLY560, ASN582, ALA583, SER585, TYR586, TYR591 and 6 more
  • 7OTF · PARP15 catalytic domain in complex with OUL213 · 1H9 A701 · binds PHE558, HIS559, GLY560, ASN582, ALA583, SER585, TYR586, TYR591 and 6 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide

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