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Ligand · M4D

M4D · 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine

M4D, 5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine (C18 H27 N3, 285.4 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 most and the…

Component
M4D
Formula
C18 H27 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

M4D in 2 structures; the first of them:

  • 5AWC · Crystal structure of human TLR8 in complex with MB-564 · M4D A1012 · binds VAL520, ASP543, ASP545, GLY572, VAL573, THR574, PHE346, TYR348 and 7 more
  • 5AWC · Crystal structure of human TLR8 in complex with mb-564 · M4D A1012 · binds VAL520, ASP543, ASP545, GLY572, VAL573, THR574, PHE346, TYR348 and 7 more

Residues it binds most

GLY 8, VAL 8, ASP 8, PHE 8, TYR 8, ILE 8, SER 8, THR 8 (residue and the binding sites it lines).

Found with

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

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