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Ligand · 4QE

4QE · 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine

4QE, 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine (C19 H23 N5 O, 337.4 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…

Component
4QE
Formula
C19 H23 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4QE in 2 structures; the first of them:

  • 4CFM · Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2… · 4QE A1297 · binds ILE10, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80, GLU81 and 10 more
  • 4CFM · Structure-based design of C8-substituted O6- cyclohexylmethoxyguanine CDK1 and 2… · 4QE A1297 · binds ILE10, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80, GLU81 and 10 more

Residues it binds most

ASP 4, GLN 4, GLU 4, LEU 4, PHE 4, VAL 4, ALA 4, ASN 4, GLY 4, HIS 4 (residue and the binding sites it lines).

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