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Ligand · 6HK

6HK · methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate

6HK, methyl [3-(1-methyl-1H-imidazol-5-yl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]acetate (C20 H18 N4 O3, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
6HK
Formula
C20 H18 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

6HK in 2 structures; the first of them:

  • 4FTT · Crystal Structure of the CHK1 · 6HK A301 · binds LEU15, VAL23, ALA36, LYS38, LEU84, GLU85, TYR86, CYS87 and 6 more
  • 4FTT · Crystal structure of the CHK1 · 6HK A301 · binds LEU15, VAL23, ALA36, LYS38, LEU84, GLU85, TYR86, CYS87 and 6 more

Residues it binds most

LEU 2, GLY 2, SER 2, ALA 2, ASP 2, CYS 2, GLU 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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