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Ligand · 11F

11F · 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

11F, 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (C22 H22 N4 O, 358.4 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…

Component
11F
Formula
C22 H22 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

11F in 4 structures; the first of them:

  • 3FQV · Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and… · 11F A219 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 8 more
  • 3FQZ · Staphylococcus aureus dihydrofolate reductase complexed with NADPH and… · 11F A219 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, HIS30, VAL31 and 6 more
  • 3FQV · Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and… · 11F A219 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 8 more
  • 3FQZ · Staphylococcus aureus dihydrofolate reductase complexed with NADPH and… · 11F A219 · binds LEU5, VAL6, ALA7, LEU20, ASP27, LEU28, HIS30, VAL31 and 6 more

Residues it binds most

LEU 4, THR 4, VAL 4, ALA 4, ASP 4, HIS 4, ILE 4, PHE 4, SER 4, ASN 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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