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Ligand · 06U

06U · 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl) phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine

06U, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl) phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine (C22 H23 N5 O, 373.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
06U
Formula
C22 H23 N5 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

06U in 3 structures; the first of them:

  • 7T7Q · R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with… · 06U X202 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 7 more
  • 7T7Q · R-27 in complex with S. aureus DHFR and alpha-NADPH - remediated for comparison with… · 06U X202 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 7 more
  • 7T7S · R-27 in complex with S. aureus DHFR and tricyclic-NADPH (tnadph) · 06U X202 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 7 more

Residues it binds most

LEU 3, THR 3, VAL 3, ALA 3, ASN 3, ASP 3, GLN 3, ILE 3, PHE 3, SER 3 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • NDW · alpha-NADPH
  • XNP · Tricyclic NADPH

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