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Ligand · I0K

I0K · (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile

I0K, (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile (C15 H13 N O2, 239.3 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, the residues it binds most and the…

Component
I0K
Formula
C15 H13 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

I0K in 2 structures; the first of them:

  • 7XVY · Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN · I0K A601 · binds MET295, LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339 and 12 more
  • 7XVY · Human estrogen receptor beta ligand-binding domain in complex with S- dpn · I0K A601 · binds MET295, LEU298, LEU301, ALA302, GLU305, MET336, LEU339, ARG346 and 8 more

Residues it binds most

LEU 4, MET 4, ILE 4, PHE 4, ALA 4, ARG 4, GLU 4, GLY 4, HIS 4, THR 2 (residue and the binding sites it lines).

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