GL1X · GenesisL1 explorer

Ligand · KQ0

KQ0 · 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine

KQ0, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine (C18 H19 N3 O S, 325.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
KQ0
Formula
C18 H19 N3 O S
Class
ligand
Structures
2
PDB entries
2

Binding sites

KQ0 in 2 structures; the first of them:

  • 8CDM · Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor… · KQ0 A902 · binds SER246, ARG247, PHE248, GLY249, PHE270, LEU271, LEU272, GLU273 and 9 more
  • 8CDQ · Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor… · KQ0 A911 · binds SER246, ARG247, PHE248, GLY249, PHE270, LEU271, LEU272, GLU273 and 8 more

Residues it binds most

PHE 2, ILE 2, GLU 2, LEU 2, ARG 2, GLY 2, SER 2, THR 2, ASP 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PG4 · Tetraethylene glycol
  • AGS · Phosphothiophosphoric acid-adenylate ester
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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