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Ligand · F49

F49 · [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid

F49, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid (C14 H10 Br4 N2 O5, 605.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
F49
Formula
C14 H10 Br4 N2 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

F49 in 4 structures; the first of them:

  • 4XZI · Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 · F49 A402 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE115, PHE122 and 6 more
  • 4XZL · Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 · F49 X402 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, PHE116, PHE123 and 7 more
  • 4XZI · Crystal structure of human aldose reductase complexed with NADP+ and JF0049 · F49 A402 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE115, PHE122 and 6 more
  • 4XZL · Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 · F49 X402 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, PHE116, PHE123 and 7 more

Residues it binds most

TRP 4, PHE 4, CYS 4, LEU 4, HIS 4, TYR 4, VAL 4, ALA 2, ARG 2, GLN 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol

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