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Ligand · 9CH

9CH · 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione

9CH, 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione (C20 H20 Cl2 N8 O3, 491.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
9CH
Formula
C20 H20 Cl2 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

9CH in 2 structures; the first of them:

  • 5NWH · Potent inhibitors of NUDT5 silence hormone signaling in breast cancer · 9CH A301 · binds TRP28, ARG51, GLY61, ARG84, ALA96, LEU98, MET132, CYS139 and 4 more
  • 5NWH · Potent inhibitors of NUDT5 silence hormone signaling in breast cancer · 9CH A301 · binds TRP28, ARG51, GLY61, ARG84, ALA96, LEU98, MET132, CYS139 and 4 more

Residues it binds most

ARG 4, TRP 4, GLU 4, CYS 4, ILE 4, LEU 4, MET 4, THR 4, ALA 2, GLY 2 (residue and the binding sites it lines).

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