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Ligand · S8Q

S8Q · 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl) ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone

S8Q, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl) ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone (C22 H32 N2 O5, 404.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
S8Q
Formula
C22 H32 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

S8Q in 2 structures; the first of them:

  • 7AY6 · Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b · S8Q A501 · binds TYR159, HIS160, SER208, MET273, ASN321, TYR329, TRP332, THR333 and 10 more
  • 7AY6 · Crystal structure of the PDE4D catalytic domain in complex with gebr- 41B · S8Q A501 · binds TYR159, HIS160, SER208, MET273, ASN321, TYR329, TRP332, THR333 and 10 more

Residues it binds most

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

Found with

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

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