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Ligand · 18G

18G · 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

18G, 5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (C23 H24 N4 O2, 388.5 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…

Component
18G
Formula
C23 H24 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

18G in 2 structures; the first of them:

  • 4HOE · Candida albicans dihydrofolate reductase complexed with NADPH and… · 18G A202 · binds ILE9, VAL10, ALA11, MET25, GLU32, ILE33, PHE36, THR58 and 7 more
  • 4HOE · Candida albicans dihydrofolate reductase complexed with NADPH and 5… · 18G A202 · binds ILE9, VAL10, ALA11, MET25, GLU32, ILE33, PHE36, THR58 and 7 more

Residues it binds most

ILE 4, PHE 4, THR 4, ALA 4, GLU 4, MET 4, PRO 4, SER 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • GLY · Glycine
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • GOL · Glycerol

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