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Ligand · 4HK

4HK · 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile

4HK, 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile (C22 H20 N4 O2, 372.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
4HK
Formula
C22 H20 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4HK in 2 structures; the first of them:

  • 4FTQ · Crystal Structure of the CHK1 · 4HK A301 · binds GLN13, LEU15, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84 and 8 more
  • 4FTQ · Crystal structure of the CHK1 · 4HK A301 · binds GLN13, LEU15, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84 and 8 more

Residues it binds most

LEU 2, GLU 2, SER 2, VAL 2, ALA 2, ASP 2, CYS 2, GLN 2, GLY 2, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • IPA · Isopropyl alcohol

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