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Ligand · W87

W87 · 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W87, 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (C21 H20 N2 O6, 396.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
W87
Formula
C21 H20 N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

W87 in 2 structures; the first of them:

  • 3W87 · Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103 · W87 A401 · binds LYS43, ARG50, ASN53, ASN67, SER68, MET69, GLY70, LEU71 and 10 more
  • 3W87 · Structure of trypanosoma cruzi dihydroorotate dehydrogenase in complex with sh-1-103 · W87 A401 · binds LYS43, ARG50, ASN53, ASN67, SER68, MET69, GLY70, LEU71 and 10 more

Residues it binds most

ASN 4, SER 4, LEU 4, LYS 4, PRO 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
  • PEG · Di(hydroxyethyl)ether

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