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Ligand · HRW

HRW · 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide

HRW, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide (C19 H17 F3 N4 O S2, 438.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
HRW
Formula
C19 H17 F3 N4 O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

HRW in 2 structures; the first of them:

  • 4UVD · Discovery of pyrimidine isoxazoles InhA in complex with compound 6 · HRW A1272 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, TYR158 and 7 more
  • 4UVD · Discovery of pyrimidine isoxazoles inha in complex with compound 6 · HRW A1272 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, TYR158 and 7 more

Residues it binds most

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

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • MG · Magnesium ion

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