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Ligand · 52X

52X · methyl {3-[2-(acetylamino)ethyl]-2-iodo-1H-indol-5-yl}carbamate

52X, methyl {3-[2-(acetylamino)ethyl]-2-iodo-1H-indol-5-yl}carbamate (C14 H16 I N3 O3, 401.2 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, the residues…

Component
52X
Formula
C14 H16 I N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

52X in 2 structures; the first of them:

  • 3OWH · X-ray Structural study of qui reductase II inhibition by compounds with micromolar to… · 52X A232 · binds GLY68, VAL69, GLN122, PHE126, PHE131, TYR132, PHE178, TRP105 and 7 more
  • 3OWH · X-ray structural study of quinone reductase II inhibition by compounds with micromolar to… · 52X A232 · binds GLY68, VAL69, GLN122, PHE126, PHE131, TYR132, PHE178, TRP105 and 7 more

Residues it binds most

PHE 4, GLY 4, TYR 4, ASN 4, GLN 4, ILE 4, MET 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • ZN · Zinc ion

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