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Ligand · 5HK

5HK · 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]-N,N-dimethylacetamide

5HK, 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]-N,N-dimethylacetamide (C24 H22 N4 O5, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
5HK
Formula
C24 H22 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

5HK in 2 structures; the first of them:

  • 4FTR · Crystal Structure of the CHK1 · 5HK A301 · binds GLN13, LEU15, GLY16, TYR20, VAL23, ALA36, LYS38, GLU55 and 10 more
  • 4FTR · Crystal structure of the CHK1 · 5HK A301 · binds GLN13, LEU15, GLY16, TYR20, VAL23, ALA36, LYS38, GLU55 and 10 more

Residues it binds most

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

Found with

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

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