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Ligand · A0C

A0C · 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide

A0C, 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide (C11 H12 N4 O2 S, 264.3 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
A0C
Formula
C11 H12 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A0C in 2 structures; the first of them:

  • 4UVG · Discovery of pyrimidine isoxazoles InhA in complex with compound 15 · A0C A1273 · binds GLY96, PHE97, MET98, PHE149, TYR158, MET161, ALA198, MET199 and 1 more
  • 4UVG · Discovery of pyrimidine isoxazoles inha in complex with compound 15 · A0C A1273 · binds GLY96, PHE97, MET98, PHE149, TYR158, MET161, ALA198, MET199 and 1 more

Residues it binds most

MET 2, PHE 2, ALA 2, GLY 2, ILE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • MG · Magnesium ion
  • 1PE · Pentaethylene glycol

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