GL1X · GenesisL1 explorer

Ligand · UMN

UMN · 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide

UMN, 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide (C29 H30 Cl N5 O4, 548.0 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
UMN
Formula
C29 H30 Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

UMN in 2 structures; the first of them:

  • 7NQQ · Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and… · UMN A406 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64, ARG67 and 15 more
  • 7NQQ · Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and… · UMN A406 · binds ILE31, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64, ARG67 and 15 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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