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Ligand · WRB

WRB · 1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine

WRB, 1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine (C14 H20 Br N5 O2, 370.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
WRB
Formula
C14 H20 Br N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

WRB in 2 structures; the first of them:

  • 1DG7 · Dihydrofolate reductase of mycobacterium tuberculosis complexed with NADPH and 4-bromo… · WRB A200 · binds ILE5, TRP6, ALA7, ILE20, ASP27, GLN28, PHE31, THR46 and 8 more
  • 1DG7 · Dihydrofolate reductase of mycobacterium tuberculosis complexed with NADPH and 4-bromo… · WRB A200 · binds ILE5, TRP6, ALA7, ILE20, ASP27, GLN28, PHE31, THR46 and 8 more

Residues it binds most

ILE 2, LEU 2, THR 2, ALA 2, ASP 2, GLN 2, LYS 2, PHE 2, PRO 2, TRP 2 (residue and the binding sites it lines).

Found with

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

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