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Ligand · XQK

XQK · Methyl 5-isoxazol-5-yl-3-methyl-1H-pyrazole-4-carboxylate

XQK, Methyl 5-isoxazol-5-yl-3-methyl-1H-pyrazole-4-carboxylate (C9 H9 N3 O3, 207.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
XQK
Formula
C9 H9 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

XQK in 4 structures; the first of them:

  • 2YEI · HSP90 inhibitors and drugs from fragment and virtual screening · XQK A1224 · binds MET98, LEU103, LEU107, ALA111, GLY135, VAL136, PHE138, TYR139 and 3 more
  • 2YEJ · HSP90 inhibitors and drugs from fragment and virtual screening · XQK A1225 · binds ASN51, MET98, LEU103, LEU107, ALA111, GLY135, VAL136, PHE138 and 3 more
  • 2YEI · HSP90 inhibitors and drugs from fragment and virtual screening · XQK A1224 · binds MET98, LEU103, LEU107, ALA111, GLY135, VAL136, PHE138, TYR139 and 3 more
  • 2YEJ · HSP90 inhibitors and drugs from fragment and virtual screening · XQK A1225 · binds ASN51, MET98, LEU103, LEU107, ALA111, GLY135, VAL136, PHE138 and 3 more

Residues it binds most

VAL 4, LEU 4, ALA 4, GLY 4, MET 4, PHE 4, TRP 4, TYR 4, ASN 2 (residue and the binding sites it lines).

Found with

  • XQI · Methyl 2-(3,5-dihydroxyphenyl)ethanoate
  • ZZ3 · 4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
  • MG · Magnesium ion

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