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Ligand · W86

W86 · 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W86, 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (C17 H18 N2 O6, 346.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
W86
Formula
C17 H18 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

W86 in 2 structures; the first of them:

  • 3W86 · Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96 · W86 A401 · binds LYS43, ARG50, ASN53, ASN67, SER68, MET69, GLY70, LEU71 and 9 more
  • 3W86 · Structure of trypanosoma cruzi dihydroorotate dehydrogenase in complex with sh-1-96 · W86 A401 · binds LYS43, ARG50, ASN53, ASN67, SER68, MET69, GLY70, LEU71 and 9 more

Residues it binds most

ASN 4, SER 4, LYS 4, PRO 4, LEU 4, ARG 4, GLY 4, MET 4, CYS 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • NCO · Cobalt hexammine(iii)
  • CAC · Cacodylate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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