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Ligand · I6A

I6A · 5-methoxy-6-pyridin-4-yl-1~{H}-indole

I6A, 5-methoxy-6-pyridin-4-yl-1~{H}-indole (C14 H12 N2 O, 224.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
I6A
Formula
C14 H12 N2 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

I6A in 1 structure; the first of them:

  • 7R52 · Crystal structure of human TLR8 in complex with compound 2 · I6A A907 · binds PHE494, PHE495, SER516, ALA518, ARG541, PHE346, TYR348, LYS350 and 3 more

Residues it binds most

PHE 2, GLY 2, SER 2, ALA 2, ARG 2, LYS 2, TYR 2, VAL 2, ILE 1 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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