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Ligand · 788

788 · N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

788, N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (C24 H19 N5 O, 393.4 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…

Component
788
Formula
C24 H19 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

788 in 2 structures; the first of them:

  • 4D09 · PDE2a catalytic domain in complex with a brain penetrant inhibitor · 788 A1 · binds TYR655, HIS656, THR768, LEU770, ALA771, LEU774, ASP808, LEU809 and 9 more
  • 4D09 · PDE2A catalytic domain in complex with a brain penetrant inhibitor · 788 A1 · binds TYR655, HIS656, THR768, LEU770, ALA771, LEU774, ASP808, LEU809 and 9 more

Residues it binds most

ILE 8, LEU 8, GLN 8, PHE 8, TYR 8, ASP 8, HIS 8, MET 8, THR 8, ALA 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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