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Ligand · VFF

VFF · methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate

VFF, methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate (C17 H16 N4 O2, 308.3 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…

Component
VFF
Formula
C17 H16 N4 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

VFF in 1 structure; the first of them:

  • 8CQ8 · Mycobacterium tuberculosis dihydrofolate reductase in complex with methyl… · VFF A301 · binds ILE5, TRP6, ALA7, ILE20, ARG23, ASP27, GLN28, PHE31 and 7 more

Residues it binds most

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

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CO · Cobalt (II) ion
  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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