GL1X · GenesisL1 explorer

Ligand · 7I9

7I9 · (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide

7I9, (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide (C36 H41 F3 N2 O6 S, 686.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
7I9
Formula
C36 H41 F3 N2 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

7I9 in 2 structures; the first of them:

  • 7RS0 · Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with… · 7I9 A601 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, LEU354 and 12 more
  • 7RS0 · Crystal structure of the er-alpha ligand-binding domain (L372S, L536S) in complex with… · 7I9 A601 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, LEU354 and 12 more

Residues it binds most

LEU 8, MET 8, PHE 6, ALA 8, ARG 8, ASP 8, GLU 8, GLY 8, HIS 8, ILE 8 (residue and the binding sites it lines).

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