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Ligand · VDT

VDT · 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine

VDT, 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine (C16 H16 N4 O, 280.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
VDT
Formula
C16 H16 N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

VDT in 1 structure; the first of them:

  • 8COQ · Mycobacterium tuberculosis dihydrofolate reductase in complex with… · VDT A202 · binds ILE5, TRP6, ALA7, ILE20, TRP22, ASP27, GLN28, PHE31 and 7 more

Residues it binds most

ILE 2, LEU 2, THR 2, TRP 2, ALA 2, ASP 2, GLN 2, PHE 2, TYR 2, SER 1 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CO · Cobalt (II) ion
  • SO4 · Sulfate ion

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