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Ligand · AU5

AU5 · 9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one

AU5, 9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one (C24 H32 N6 O3, 452.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
AU5
Formula
C24 H32 N6 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

AU5 in 4 structures; the first of them:

  • 5AP0 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · AU5 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, ILE586, MET602, GLU603 and 8 more
  • 5AP3 · Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug… · AU5 A1799 · binds ILE531, GLY532, VAL539, GLN541, ALA551, ILE586, MET602, GLU603 and 7 more
  • 5AP0 · Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug… · AU5 A1795 · binds ILE531, GLY532, VAL539, GLN541, ALA551, ILE586, MET602, GLU603 and 8 more
  • 5AP3 · Naturally occurring mutations in the MPS1 gene predispose cells to kinase inhibitor drug… · AU5 A1799 · binds ILE531, GLY532, VAL539, GLN541, ALA551, ILE586, MET602, GLU603 and 7 more

Residues it binds most

ILE 4, GLY 4, ALA 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, LEU 4, MET 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol
  • P4C · O-acetaldehydyl-hexaethylene glycol

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