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Ligand · 1JE

1JE · [(1R)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

1JE, [(1R)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid (C16 H17 Cl2 N O3, 342.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
1JE
Formula
C16 H17 Cl2 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1JE in 2 structures; the first of them:

  • 4J02 · Crystal structure of hcv ns5b polymerase in complex with… · 1JE A601 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, ILE482 and 4 more
  • 4J02 · Crystal structure of HCV NS5B polymerase in complex with [(1R)-5,8… · 1JE A601 · binds LEU419, ARG422, MET423, LEU474, HIS475, SER476, TYR477, ILE482 and 4 more

Residues it binds most

ARG 4, LEU 4, HIS 4, ILE 4, MET 4, SER 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SO4 · Sulfate ion

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