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Ligand · I2B

I2B · (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile

I2B, (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(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
I2B
Formula
C15 H12 Cl N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

I2B in 2 structures; the first of them:

  • 7XWR · Human Estrogen Receptor beta Ligand-binding Domain in Complex with… · I2B A601 · binds LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339, MET340 and 11 more
  • 7XWR · Human estrogen receptor beta ligand-binding domain in complex with… · I2B A601 · binds LEU298, THR299, GLU305, MET336, LEU339, MET340, ARG346, PHE356 and 5 more

Residues it binds most

LEU 4, MET 4, PHE 4, ARG 4, GLU 4, GLY 4, HIS 4, ILE 2, THR 3, ALA 2 (residue and the binding sites it lines).

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