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Ligand · QWI

QWI · 6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9H-purine

QWI, 6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9H-purine (C20 H24 N6, 348.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
QWI
Formula
C20 H24 N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

QWI in 2 structures; the first of them:

  • 3ZO4 · The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors · QWI A1352 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 13 more
  • 3ZO4 · The synthesis and evaluation of diazaspirocyclic protein kinase inhibitors · QWI A1352 · binds LEU49, GLY50, THR51, GLY52, GLY55, ARG56, VAL57, ALA70 and 13 more

Residues it binds most

GLU 2, GLY 2, VAL 2, ARG 2, LEU 2, THR 2, ALA 2, ASP 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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