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Ligand · 9XY

9XY · Endoxifen

9XY, Endoxifen (C25 H27 N O2, 373.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
9XY
Formula
C25 H27 N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

9XY in 3 structures; the first of them:

  • 6SXE · Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with… · 9XY A307 · binds VAL219, MET222, ALA223, LYS226, GLU227, ILE241, LEU245
  • 5W9D · Estrogen receptor alpha ligand binding domain C381S, C417S, C530S mutant in complex with… · 9XY A601 · binds MET343, LEU346, THR347, ALA350, ASP351, GLU353, TRP383, LEU384 and 12 more
  • 6SXE · Crystal structure of the voltage-gated sodium channel navms (F208L) in complex with… · 9XY A307 · binds VAL219, MET222, ALA223, ILE241

Residues it binds most

LEU 4, ILE 6, GLU 5, ALA 6, GLY 4, MET 4, VAL 6, ASP 4, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • 2CV · Hega-10
  • 7PG · 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol
  • NA · Sodium ion

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