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Ligand · HQT

HQT · 2-hydroxyisoquinoline-1(2H)-thione

HQT, 2-hydroxyisoquinoline-1(2H)-thione (C9 H7 N O S, 177.2 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
HQT
Formula
C9 H7 N O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HQT in 2 structures; the first of them:

  • 4Q8Y · Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase… · HQT A303 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU141, VAL143 and 4 more
  • 4Q8Y · Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase… · HQT A303 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU141, VAL143 and 4 more

Residues it binds most

HIS 2, LEU 2, THR 2, VAL 2, GLN 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • MBO · Mercuribenzoic acid
  • ZN · Zinc ion

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