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Ligand · HK5

HK5 · 4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile

HK5, 4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile (C22 H17 N5 O, 367.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
HK5
Formula
C22 H17 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

HK5 in 2 structures; the first of them:

  • 4FSU · Crystal Structure of the CHK1 · HK5 A301 · binds GLN13, THR14, LEU15, VAL23, ALA36, LYS38, GLU55, VAL68 and 10 more
  • 4FSU · Crystal structure of the CHK1 · HK5 A301 · binds GLN13, THR14, LEU15, VAL23, ALA36, LYS38, GLU55, VAL68 and 10 more

Residues it binds most

GLU 2, LEU 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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