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Ligand · 3AS

3AS · (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol

3AS, (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol (C20 H20 F2 O4, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3AS
Formula
C20 H20 F2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3AS in 2 structures; the first of them:

  • 2QTU · Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand · 3AS A1 · binds MET295, LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339 and 12 more
  • 2QTU · Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand · 3AS A1 · binds MET295, LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339 and 12 more

Residues it binds most

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

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