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Ligand · KK1

KK1 · 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine

KK1, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine (C19 H28 N4 O, 328.4 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…

Component
KK1
Formula
C19 H28 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

KK1 in 2 structures; the first of them:

  • 4QAA · X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH… · KK1 A301 · binds TYR89, LYS139, SER142, TRP143, THR144, VAL183, TYR192, TRP53 and 7 more
  • 4QAA · X-ray structure of acetylcholine binding protein (achbp) in complex with… · KK1 A301 · binds TYR89, LYS139, SER142, TRP143, THR144, VAL183, TYR192, TRP53 and 7 more

Residues it binds most

TYR 20, TRP 20, LEU 20, SER 20, THR 18, ARG 20, MET 20, VAL 16, ALA 14, LYS 10 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion

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