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Ligand · HK9

HK9 · 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid

HK9, 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid (C21 H16 N2 O4, 360.4 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
HK9
Formula
C21 H16 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

HK9 in 2 structures; the first of them:

  • 4FT0 · Crystal Structure of the CHK1 · HK9 A301 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, LYS38, GLU55 and 10 more
  • 4FT0 · Crystal structure of the CHK1 · HK9 A301 · binds LEU15, GLY16, GLU17, GLY18, VAL23, ALA36, LYS38, GLU55 and 10 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • IPA · Isopropyl alcohol

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