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Ligand · JJ3

JJ3 · (3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3A,4,9B-hexahydrocyclopenta[c]chromen-8-ol

JJ3, (3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3A,4,9B-hexahydrocyclopenta[c]chromen-8-ol (C20 H22 O4, 326.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
JJ3
Formula
C20 H22 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

JJ3 in 4 structures; the first of them:

  • 2JJ3 · Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist · JJ3 A1499 · binds MET295, LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339 and 13 more
  • 2QE4 · Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist · JJ3 A601 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, TRP383, LEU384 and 12 more
  • 2JJ3 · Estrogen receptor beta ligand binding domain in complex with a benzopyran agonist · JJ3 A1499 · binds MET295, LEU298, THR299, LEU301, ALA302, GLU305, MET336, LEU339 and 13 more
  • 2QE4 · Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist · JJ3 A601 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, TRP383, LEU384 and 12 more

Residues it binds most

LEU 8, MET 8, ILE 8, PHE 8, ALA 8, ARG 8, GLU 8, GLY 8, HIS 8, THR 8 (residue and the binding sites it lines).

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