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Ligand · UNW

UNW · 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one

UNW, 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one (C29 H30 Cl N5 O3, 532.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
UNW
Formula
C29 H30 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

UNW in 2 structures; the first of them:

  • 7NQW · Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and… · UNW A405 · binds ILE31, ALA35, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64 and 15 more
  • 7NQW · Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and… · UNW A405 · binds ILE31, ALA35, TYR36, VAL39, ALA52, LYS54, ILE56, TYR64 and 15 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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