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Ligand · 2D3

2D3 · Methyl 3-isoxazol-5-yl-5-methyl-1H-pyrazole-4-carboxylate

2D3, Methyl 3-isoxazol-5-yl-5-methyl-1H-pyrazole-4-carboxylate (C9 H9 N3 O3, 207.2 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…

Component
2D3
Formula
C9 H9 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2D3 in 2 structures; the first of them:

  • 2YE8 · HSP90 inhibitors and drugs from fragment and virtual screening · 2D3 A1225 · binds MET98, LEU103, LEU107, ALA111, GLY135, PHE138, TYR139, VAL150 and 3 more
  • 2YE8 · HSP90 inhibitors and drugs from fragment and virtual screening · 2D3 A1225 · binds MET98, LEU103, LEU107, ALA111, GLY135, PHE138, TYR139, VAL150 and 3 more

Residues it binds most

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

Found with

  • MG · Magnesium ion

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