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Ligand · VB0

VB0 · 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine

VB0, 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine (C15 H13 F N4, 268.3 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
VB0
Formula
C15 H13 F N4
Class
ligand
Structures
1
PDB entries
1

Binding sites

VB0 in 1 structure; the first of them:

  • 8COW · Mycobacterium tuberculosis dihydrofolate reductase in complex with… · VB0 A202 · binds ILE5, TRP6, ALA7, ILE20, ASP27, GLN28, PHE31, THR46 and 4 more

Residues it binds most

ILE 2, THR 2, LEU 2, ALA 2, ASP 2, GLN 2, PHE 2, TRP 2, TYR 2, ARG 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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