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Ligand · JYI

JYI · 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid

JYI, 3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid (C27 H23 Cl O2, 414.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
JYI
Formula
C27 H23 Cl O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JYI in 2 structures; the first of them:

  • 4JYI · Crystal structure of RARbeta LBD in complex with selective partial agonist BMS641… · JYI A501 · binds PHE192, TRP218, PHE221, LEU224, ALA225, CYS228, LEU259, LEU262 and 15 more
  • 4JYI · Crystal structure of rarbeta lbd in complex with selective partial agonist BMS641… · JYI A501 · binds PHE192, TRP218, PHE221, LEU224, ALA225, CYS228, LEU259, LEU262 and 15 more

Residues it binds most

LEU 4, PHE 4, ILE 4, ARG 4, VAL 4, GLY 4, ALA 4, CYS 4, SER 4, TRP 4 (residue and the binding sites it lines).

Found with

  • FLC · Citrate anion

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