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Ligand · AKJ

AKJ · 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one

AKJ, 1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one (C16 H20 F2 O4, 314.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
AKJ
Formula
C16 H20 F2 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

AKJ in 1 structure; the first of them:

  • 5WH6 · Crystal structure of PDE4D2 in complex with inhibitor (S_ZL-N-91) · AKJ A601 · binds TYR159, MET273, ASP318, LEU319, ASN321, PRO322, TYR329, TRP332 and 8 more

Residues it binds most

MET 2, PHE 2, TYR 2, ASN 2, ASP 2, GLN 2, ILE 2, PRO 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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