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Ligand · 49D

49D · 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

49D, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (C18 H20 Cl N5 O, 357.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
49D
Formula
C18 H20 Cl N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

49D in 4 structures; the first of them:

  • 4Y86 · Crystal structure of PDE9 in complex with racemic inhibitor C33 · 49D A601 · binds PHE251, HIS252, MET365, ILE403, GLU406, LEU420, LEU421, TYR424 and 7 more
  • 4Y8C · Crystal structure of phosphodiesterase 9 in complex with (S)-C33 · 49D A601 · binds PHE251, HIS252, MET365, ILE403, GLU406, LEU420, LEU421, TYR424 and 7 more
  • 4Y86 · Crystal structure of PDE9 in complex with racemic inhibitor C33 · 49D A601 · binds PHE251, HIS252, MET365, ILE403, GLU406, LEU420, LEU421, TYR424 and 7 more
  • 4Y8C · Crystal structure of phosphodiesterase 9 in complex with (S)-C33 · 49D A601 · binds PHE251, HIS252, MET365, ILE403, GLU406, LEU420, LEU421, TYR424 and 7 more

Residues it binds most

PHE 6, LEU 6, MET 6, ALA 6, GLN 6, GLU 6, HIS 6, ILE 6, TYR 6, VAL 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • 49E · 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

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