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Ligand · XKG

XKG · (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one

XKG, (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one (C24 H27 N3 O3, 405.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
XKG
Formula
C24 H27 N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

XKG in 1 structure; the first of them:

  • 7L28 · Crystal structure of the catalytic domain of human PDE3A bound to trequinsin · XKG A1101 · binds TYR751, THR844, PRO954, ILE968, PHE972, LEU1000, GLN1001, SER1003 and 2 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • MN · Manganese (II) ion
  • ACT · Acetate ion

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