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Ligand · ER8

ER8 · ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide

ER8, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide (C23 H28 Cl N5 O3, 458.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
ER8
Formula
C23 H28 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

ER8 in 2 structures; the first of them:

  • 6G9D · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ER8 A406 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, ARG67, THR68 and 15 more
  • 6G9D · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ER8 A406 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, ARG67, GLU71 and 11 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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