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Ligand · ERW

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

ERW, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide (C24 H30 Cl N5 O3, 472.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
ERW
Formula
C24 H30 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

ERW in 2 structures; the first of them:

  • 6G9H · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ERW A405 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, ARG67, THR68 and 14 more
  • 6G9H · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ERW A405 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, ARG67, GLU71 and 10 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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