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Ligand · 25U

25U · 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine

25U, 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine (C19 H18 N6, 330.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
25U
Formula
C19 H18 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

25U in 4 structures; the first of them:

  • 4KBN · human dihydrofolate reductase complexed with NADPH and… · 25U A201 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, TYR33, PHE34 and 8 more
  • 4OR7 · Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and… · 25U A202 · binds ILE5, ALA6, ALA7, MET20, ASP27, LEU28, TRP30, PHE31 and 8 more
  • 4KBN · Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-(3,5… · 25U A201 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, TYR33, PHE34 and 8 more
  • 4OR7 · Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and… · 25U A202 · binds ILE5, ALA6, ALA7, MET20, ASP27, LEU28, TRP30, PHE31 and 8 more

Residues it binds most

ILE 6, LEU 6, THR 6, PHE 6, TYR 6, ALA 6, VAL 4, ASN 4, GLU 4, PRO 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • MG · Magnesium ion
  • SR · Strontium ion
  • CL · Chloride ion
  • NH4 · Ammonium ion
  • EOH · Ethanol

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