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Ligand · QLR

QLR · 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine

QLR, 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (C19 H24 N4 O3, 356.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
QLR
Formula
C19 H24 N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

QLR in 4 structures; the first of them:

  • 3QLR · Candida albicans dihydrofolate reductase complexed with NADPH and… · QLR A194 · binds ILE9, VAL10, ALA11, MET25, GLU32, ILE33, PHE36, MET54 and 8 more
  • 3QLX · Candida glabrata dihydrofolate reductase complexed with NADPH and… · QLR A229 · binds ILE9, VAL10, ALA11, LEU25, GLU32, MET33, PHE36, THR58 and 8 more
  • 3QLR · Candida albicans dihydrofolate reductase complexed with NADPH and 6… · QLR A194 · binds ILE9, VAL10, ALA11, MET25, GLU32, ILE33, PHE36, MET54 and 8 more
  • 3QLX · Candida glabrata dihydrofolate reductase complexed with NADPH and 6… · QLR A229 · binds ILE9, VAL10, ALA11, LEU25, GLU32, MET33, PHE36, THR58 and 8 more

Residues it binds most

ILE 8, THR 8, MET 8, LEU 6, PHE 8, ALA 8, GLU 8, PRO 8, SER 8, TYR 8 (residue and the binding sites it lines).

Found with

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

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