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Ligand · SIJ

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

SIJ, 6-(1,9-diazaspiro[5.5]undecan-9-yl)-9H-purine (C14 H20 N6, 272.4 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 and the…

Component
SIJ
Formula
C14 H20 N6
Class
ligand
Structures
2
PDB entries
1

Binding sites

SIJ in 2 structures; the first of them:

  • 3ZO1 · The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors · SIJ A1351 · binds LEU49, GLY50, THR51, VAL57, ALA70, VAL104, MET120, GLU121 and 9 more
  • 3ZO1 · The synthesis and evaluation of diazaspirocyclic protein kinase inhibitors · SIJ A1351 · binds LEU49, GLY50, THR51, VAL57, ALA70, VAL104, MET120, GLU121 and 9 more

Residues it binds most

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

Found with

  • GOL · Glycerol
  • MOH · Methanol

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