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Ligand · AH9

AH9 · 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde

AH9, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde (C12 H15 N O3, 221.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
AH9
Formula
C12 H15 N O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

AH9 in 2 structures; the first of them:

  • 6IMB · Crystal structure of PDE4D complexed with a novel inhibitor · AH9 A503 · binds TYR159, HIS160, ASN321, THR333, ILE336, MET357, GLN369, PHE372
  • 6IMD · Crystal structure of PDE4D complexed with a novel inhibitor · AH9 A505 · binds HIS160, ASN321, ILE336, MET357, SER368, GLN369, PHE372

Residues it binds most

PHE 4, ASN 4, GLN 4, HIS 4, ILE 4, MET 4, THR 2, TYR 2, LEU 1, SER 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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