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Ligand · I1I

I1I · (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile

I1I, (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile (C15 H12 Cl N O2, 273.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
I1I
Formula
C15 H12 Cl N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

I1I in 2 structures; the first of them:

  • 7XWP · Human Estrogen Receptor beta Ligand-binding Domain in Complex with… · I1I A601 · binds MET295, LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339 and 11 more
  • 7XWP · Human estrogen receptor beta ligand-binding domain in complex with… · I1I A601 · binds MET295, LEU298, ALA302, GLU305, MET336, LEU339, MET340, ARG346 and 7 more

Residues it binds most

LEU 4, MET 4, ILE 3, PHE 4, ALA 4, ARG 4, GLU 4, HIS 4, GLY 3, THR 1 (residue and the binding sites it lines).

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