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Ligand · ERK

ERK · 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide

ERK, 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide (C27 H28 Cl N5 O3, 506.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
ERK
Formula
C27 H28 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

ERK in 2 structures; the first of them:

  • 6G9J · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ERK A403 · binds ILE31, ALA35, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64 and 16 more
  • 6G9J · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ERK A403 · binds TYR36, VAL39, ALA52, LYS54, ILE56, TYR64, ARG67, THR68 and 13 more

Residues it binds most

ASP 2, GLU 2, ILE 2, LEU 2, LYS 2, THR 2, TYR 2, ALA 2, ARG 2, CME 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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