GL1X · GenesisL1 explorer

Ligand · 77I

77I · (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl) propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide

77I, (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl) propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide (C35 H39 F3 N2 O6 S, 672.8 g/mol), in the MolNFT structures on…

Component
77I
Formula
C35 H39 F3 N2 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

77I in 2 structures; the first of them:

  • 7RRZ · Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with… · 77I A601 · binds GLU339, MET342, MET343, LEU346, THR347, LEU349, ALA350, ASP351 and 18 more
  • 7RRZ · Crystal structure of the er-alpha ligand-binding domain (L372S, L536S) in complex with… · 77I A601 · binds GLU339, MET342, MET343, LEU346, THR347, LEU349, ALA350, ASP351 and 18 more

Residues it binds most

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

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