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Ligand · 0WL

0WL · 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

0WL, 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C19 H23 N7 O, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
0WL
Formula
C19 H23 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

0WL in 2 structures; the first of them:

  • 4G2L · Human PDE9 in complex with selective compound · 0WL A903 · binds PHE251, HIS252, MET365, ILE403, ASN405, GLU406, LEU420, LEU421 and 5 more
  • 4G2L · Human PDE9 in complex with selective compound · 0WL A903 · binds PHE251, HIS252, MET365, ILE403, ASN405, GLU406, LEU420, LEU421 and 5 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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