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Ligand · 1K8

1K8 · 3-chloranyl-2-piperazin-1-yl-quinoline

1K8, 3-chloranyl-2-piperazin-1-yl-quinoline (C13 H14 Cl N3, 247.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
1K8
Formula
C13 H14 Cl N3
Class
ligand
Structures
3
PDB entries
2

Binding sites

1K8 in 3 structures; the first of them:

  • 7OUM · BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A · 1K8 A1106 · binds LEU404, ASP407, ASP408, VAL411, ILE438, ALA441, LEU442, ILE445 and 6 more
  • 7OUK · BDM88855 inhibitor bound to the transmembrane domain of acrb · 1K8 A1102 · binds LEU404, ASP407, ASP408, VAL411, ILE438, ALA441, LEU442, ILE445 and 6 more
  • 7OUM · BDM88855 inhibitor bound to the transmembrane domain of acrb-R971A · 1K8 A1106 · binds LEU404, ASP407, ASP408, VAL411, ILE438, ALA441, LEU442, ILE445 and 4 more

Residues it binds most

LEU 6, ALA 6, ILE 3, ASP 3, PRO 3, ASN 3, GLN 3, GLU 3, LYS 3, MET 3 (residue and the binding sites it lines).

Found with

  • C14 · Tetradecane
  • D10 · Decane
  • DDQ · Decylamine-N,N-dimethyl-N-oxide
  • LPX · (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • LMT · Dodecyl-beta-D-maltoside
  • OCT · N-octane
  • DDR · (2S)-3-hydroxypropane-1,2-diyl didecanoate

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