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Ligand · GEX

GEX · 1-(2-methylsulfanylphenyl)piperazine

GEX, 1-(2-methylsulfanylphenyl)piperazine (C11 H16 N2 S, 208.3 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 residues it binds most and the ligands…

Component
GEX
Formula
C11 H16 N2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

GEX in 2 structures; the first of them:

  • 7CTW · Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS)… · GEX A702 · binds ALA16, LEU46, ASP54, MET55, PHE58, SER108, ILE112, PHE116 and 1 more
  • 7CTW · Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (pfdhfr-ts)… · GEX A702 · binds ALA16, LEU46, ASP54, MET55, PHE58, ILE112, ILE164

Residues it binds most

ILE 2, PHE 2, ALA 2, ASP 2, LEU 2, MET 2, SER 1 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • PO4 · Phosphate ion

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