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Ligand · IHE

IHE · 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile

IHE, 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile (C19 H28 N8, 368.5 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…

Component
IHE
Formula
C19 H28 N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

IHE in 2 structures; the first of them:

  • 1U9V · Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent… · IHE A300 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY64, GLY65, GLY66 and 7 more
  • 1U9V · Crystal structure of the cysteine protease human cathepsin K in complex with the covalent… · IHE A300 · binds GLN19, GLY23, SER24, CYS25, TRP26, GLY64, GLY65, GLY66 and 7 more

Residues it binds most

GLY 2, ALA 2, LEU 2, ASN 2, CYS 2, GLN 2, HIS 2, SER 2, TRP 2, TYR 2 (residue and the binding sites it lines).

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