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Ligand · M8D

M8D · 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine

M8D, 5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine (C22 H27 N3, 333.5 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 it binds…

Component
M8D
Formula
C22 H27 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

M8D in 2 structures; the first of them:

  • 5AWA · Crystal structure of human TLR8 in complex with MB-568 · M8D A901 · binds PHE346, TYR348, GLY351, SER352, TYR353, GLY376, VAL378, ILE403 and 2 more
  • 5AWA · Crystal structure of human TLR8 in complex with mb-568 · M8D A901 · binds PHE346, TYR348, GLY351, SER352, TYR353, GLY376, VAL378, ILE403 and 2 more

Residues it binds most

GLY 2, PHE 2, TYR 2, ARG 2, ILE 2, SER 2, VAL 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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