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Ligand · 4Q0

4Q0 · 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione

4Q0, 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione (C28 H25 N3 O5, 483.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
4Q0
Formula
C28 H25 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

4Q0 in 2 structures; the first of them:

  • 4ZO5 · PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2… · 4Q0 B803 · binds TYR514, LEU625, PHE629, LEU665, SER667, VAL668, THR678, ILE682 and 13 more
  • 4ZO5 · PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4… · 4Q0 B803 · binds TYR514, LEU625, PHE629, LEU665, SER667, VAL668, THR678, ILE682 and 13 more

Residues it binds most

PHE 2, VAL 2, GLY 2, LEU 2, TYR 2, ALA 2, GLN 2, GLU 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • 4PX · 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
  • MG · Magnesium ion
  • ZN · Zinc ion

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