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Ligand · 88E

88E · 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl) oxyethyl]morpholine

88E, 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl) oxyethyl]morpholine (C20 H23 N3 O2, 337.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
88E
Formula
C20 H23 N3 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

88E in 2 structures; the first of them:

  • 7W2D · The closed conformation of the sigma-1 receptor from xenopus laevis complexed with S1RA · 88E A403 · binds TRP86, MET90, LEU92, ALA95, TYR100, PHE104, TYR117, ASP123 and 6 more
  • 7W2H · A double cysteine variant of the sigma-1 receptor from xenopus laevis complexed with S1RA · 88E A301 · binds TRP86, MET90, LEU92, ALA95, TYR100, PHE104, TYR117, TRP161 and 5 more

Residues it binds most

TYR 36, TRP 36, ALA 36, THR 36, LEU 35, GLU 36, MET 36, PHE 36, CYS 25, ASP 14 (residue and the binding sites it lines).

Found with

  • AU · Gold ion

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