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Ligand · ESK

ESK · 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide

ESK, 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide (C27 H28 Cl N5 O4, 522.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
ESK
Formula
C27 H28 Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

ESK in 2 structures; the first of them:

  • 6G9K · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ESK A404 · binds ILE31, ALA35, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64 and 16 more
  • 6G9K · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ESK A404 · binds TYR36, VAL39, ALA52, LYS54, ILE56, TYR64, ARG67, THR68 and 12 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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