GL1X · GenesisL1 explorer

Ligand · ESN

ESN · (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide

ESN, (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide (C29 H32 Cl N5 O4, 550.1 g/mol), in the MolNFT structures on GenesisL1…

Component
ESN
Formula
C29 H32 Cl N5 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

ESN in 1 structure; the first of them:

  • 6G9N · Fragment-based discovery of a highly potent, orally bioavailable inhibitor which… · ESN A407 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64, ARG67 and 13 more

Residues it binds most

ASP 1, ILE 1, LEU 1, LYS 1, THR 1, TYR 1, ALA 1, ARG 1, CYS 1, GLN 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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