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Ligand · 9RA

9RA · 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid

9RA, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid (C24 H28 O2, 348.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
9RA
Formula
C24 H28 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

9RA in 4 structures; the first of them:

  • 3H0A · Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and… · 9RA A500 · binds ILE268, ALA271, ALA272, GLN275, TRP305, ASN306, LEU309, ILE310 and 13 more
  • 4K6I · Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with… · 9RA A500 · binds VAL265, ILE268, CYS269, ALA271, ALA272, GLN275, TRP305, ASN306 and 14 more
  • 3H0A · Crystal structure of peroxisome proliferator-activated receptor gamma (pparg) and… · 9RA A500 · binds ILE268, ALA271, ALA272, GLN275, TRP305, ASN306, LEU309, ILE310 and 13 more
  • 4K6I · Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with… · 9RA A500 · binds VAL265, ILE268, CYS269, ALA271, ALA272, GLN275, TRP305, ASN306 and 14 more

Residues it binds most

ILE 4, ALA 4, LEU 4, PHE 4, VAL 4, CYS 4, ARG 4, ASN 4, GLN 4, HIS 4 (residue and the binding sites it lines).

Found with

  • D30 · [(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid

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