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Ligand · JAR

JAR · 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

JAR, 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C20 H25 N5 O, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
JAR
Formula
C20 H25 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JAR in 2 structures; the first of them:

  • 3JSW · Human PDE9 in complex with selective inhibitor · JAR A900 · binds PHE251, HIS252, MET365, ILE403, GLU406, VAL417, LEU420, LEU421 and 6 more
  • 3JSW · Human PDE9 in complex with selective inhibitor · JAR A900 · binds PHE251, HIS252, MET365, ILE403, GLU406, VAL417, LEU420, LEU421 and 6 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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