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Ligand · EQN

EQN · 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid

EQN, 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid (C22 H25 N O3, 351.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
EQN
Formula
C22 H25 N O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

EQN in 6 structures; the first of them:

  • 3KMR · Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand… · EQN A1 · binds TRP225, PHE228, LEU231, SER232, CYS235, LEU266, LEU269, ILE270 and 13 more
  • 7AOS · crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex… · EQN B501 · binds PHE199, TRP225, PHE228, LEU231, SER232, CYS235, LEU266, LEU269 and 14 more
  • 7APO · Crystal structure of RARalpha ligand binding domain in complex with a fragment of the… · EQN A501 · binds PHE199, TRP225, PHE228, LEU231, SER232, CYS235, LEU266, LEU269 and 14 more
  • 3KMR · Crystal structure of raralpha ligand binding domain in complex with an agonist ligand… · EQN A1 · binds TRP225, PHE228, LEU231, SER232, CYS235, LEU266, LEU269, ILE270 and 13 more
  • 7AOS · Crystal structure of the RARALPHA/RXRALPHA ligand binding domain heterodimer in complex… · EQN B501 · binds PHE199, TRP225, PHE228, LEU231, SER232, CYS235, LEU266, LEU269 and 11 more
  • 7APO · Crystal structure of raralpha ligand binding domain in complex with a fragment of the… · EQN A501 · binds PHE199, TRP225, PHE228, LEU231, SER232, CYS235, LEU266, LEU269 and 10 more

Residues it binds most

LEU 8, PHE 8, ILE 8, ARG 8, SER 8, GLY 8, CYS 8, VAL 8, TRP 7 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • LG2 · 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid

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