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Ligand · GJU

GJU · 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine

GJU, 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine (C14 H13 Cl F2 N6 O, 354.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
GJU
Formula
C14 H13 Cl F2 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

GJU in 2 structures; the first of them:

  • 7CWG · Crystal structure of PDE8A catalytic domain in complex with 3a · GJU A903 · binds TYR555, HIS556, MET670, HIS673, LYS723, VAL727, ASN729, PRO730 and 7 more
  • 7CWG · Crystal structure of PDE8A catalytic domain in complex with 3A · GJU A903 · binds TYR555, MET670, HIS673, LYS723, VAL727, ASN729, ILE744, TYR748 and 5 more

Residues it binds most

PHE 2, MET 2, TYR 2, HIS 2, ASN 2, GLN 2, ILE 2, LYS 2, VAL 2, PRO 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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