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Ligand · I5N

I5N · 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine

I5N, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine (C22 H26 F N5, 379.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
I5N
Formula
C22 H26 F N5
Class
ligand
Structures
1
PDB entries
1

Binding sites

I5N in 1 structure; the first of them:

  • 7R53 · Crystal structure of human TLR8 in complex with compound 15 · I5N A907 · binds PHE494, PHE495, SER516, ALA518, TYR567, PHE261, PHE346, TYR348 and 8 more

Residues it binds most

PHE 2, GLY 2, SER 2, TYR 2, ILE 2, ALA 2, GLU 2, LYS 2, VAL 2, ARG 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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