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Ligand · U86

U86 · 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid

U86, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid (C20 H20 N4 O2, 348.4 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
U86
Formula
C20 H20 N4 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

U86 in 1 structure; the first of them:

  • 8JFB · V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase… · U86 A701 · binds ILE14, CYS15, ALA16, LEU46, ASP54, MET55, PHE58, ARG59 and 7 more

Residues it binds most

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

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • UMP · 2'-deoxyuridine 5'-monophosphate

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