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Ligand · HK4

HK4 · 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol

HK4, 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol (C21 H18 N2 O4, 362.4 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…

Component
HK4
Formula
C21 H18 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

HK4 in 2 structures; the first of them:

  • 4FST · Crystal Structure of the CHK1 · HK4 A301 · binds LEU15, VAL23, ALA36, LYS38, GLU55, ASN59, VAL68, LEU84 and 12 more
  • 4FST · Crystal structure of the CHK1 · HK4 A301 · binds LEU15, VAL23, ALA36, LYS38, GLU55, ASN59, VAL68, LEU84 and 12 more

Residues it binds most

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

Found with

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

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