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Ligand · KK3

KK3 · 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

KK3, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (C17 H19 F3 N4, 336.4 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…

Component
KK3
Formula
C17 H19 F3 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

KK3 in 2 structures; the first of them:

  • 4QAC · X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH… · KK3 A304 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS188, TYR192, ILE36 and 6 more
  • 4QAC · X-ray structure of acetylcholine binding protein (achbp) in complex with… · KK3 A304 · binds TYR89, SER142, TRP143, THR144, TYR185, CYS188, TYR192, ILE36 and 6 more

Residues it binds most

TYR 20, TRP 20, CYS 20, LEU 20, ARG 20, ILE 20, MET 20, SER 20, THR 20, ALA 4 (residue and the binding sites it lines).

Found with

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

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