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Ligand · EUI

EUI · [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl) amino]phenyl]-[3-oxidanyl-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone

EUI, [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl) amino]phenyl]-[3-oxidanyl-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone (C21 H21 F3 I N3 O2, 531.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
EUI
Formula
C21 H21 F3 I N3 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

EUI in 3 structures; the first of them:

  • 7JUY · Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor… · EUI C402 · binds ASN78, LYS97, LEU115, LEU118, VAL127, ILE141, MET143, ASP190 and 10 more
  • 7JUY · Crystal structure of KSR1:MEK1 in complex with AMP-pnp, and allosteric MEK inhibitor… · EUI C402 · binds ASN78, LYS97, LEU118, VAL127, ILE141, MET143, ASP190, LYS192 and 9 more
  • 7M0V · Crystal structure of the BRAF:MEK1 kinases in complex with amppnp and cobimetinib · EUI B803 · binds LYS97, LEU115, LEU118, VAL127, ILE141, MET143, ASP190, ASN195 and 8 more

Residues it binds most

LEU 3, ASP 3, ILE 3, VAL 3, ASN 3, LYS 3, MET 3, PHE 3, SER 3, ALA 2 (residue and the binding sites it lines).

Found with

  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion

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