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Ligand · YHG

YHG · (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide

YHG, (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide (C29 H40 N8 O2, 532.7 g/mol), in the MolNFT structures on…

Component
YHG
Formula
C29 H40 N8 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

YHG in 1 structure; the first of them:

  • 8PFI · Crystal structure of human TLR8 in complex with compound 34 · YHG A907 · binds PHE261, PHE346, TYR348, ILE349, LYS350, GLY351, SER352, GLY376 and 12 more

Residues it binds most

PHE 2, GLY 2, ILE 2, SER 2, VAL 2, ALA 2, ARG 2, GLN 2, GLU 2, LEU 2 (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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