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Ligand · RJ1

RJ1 · N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide

RJ1, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide (C9 H9 Cl F3 N5, 279.6 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…

Component
RJ1
Formula
C9 H9 Cl F3 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

RJ1 in 2 structures; the first of them:

  • 3DGA · Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS)… · RJ1 A609 · binds ILE14, CYS15, ALA16, ASP54, MET55, PHE58, ILE112, PHE116 and 4 more
  • 3DGA · Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (pfdhfr-ts)… · RJ1 A609 · binds ILE14, CYS15, ALA16, ASP54, MET55, PHE58, ILE112, PHE116 and 4 more

Residues it binds most

ILE 4, PHE 4, ALA 4, ASP 4, CYS 4, LEU 4, MET 4, THR 4, TYR 4, PRO 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • UMP · 2'-deoxyuridine 5'-monophosphate

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