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Ligand · A9L

A9L · N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide

A9L, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide (C22 H24 N2 O7 S, 460.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
A9L
Formula
C22 H24 N2 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A9L in 2 structures; the first of them:

  • 7CBQ · Crystal structure of PDE4D catalytic domain in complex with Apremilast · A9L A511 · binds TYR159, HIS160, SER208, THR271, MET273, ASP318, LEU319, ASN321 and 12 more
  • 7CBQ · Crystal structure of PDE4D catalytic domain in complex with apremilast · A9L A511 · binds TYR159, HIS160, SER208, THR271, MET273, ASP318, LEU319, ASN321 and 12 more

Residues it binds most

GLN 4, MET 4, PHE 4, SER 4, THR 4, TYR 4, ASN 4, ASP 4, CYS 4, HIS 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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