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Ligand · B64

B64 · 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid

B64, 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid (C14 H11 N O5 S2, 337.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
B64
Formula
C14 H11 N O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B64 in 2 structures; the first of them:

  • 3HK1 · Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding… · B64 A132 · binds PHE16, TYR19, MET20, VAL23, VAL25, THR29, VAL32, ALA33 and 9 more
  • 3HK1 · Identification and characterization of a small molecule inhibitor of fatty acid binding… · B64 A132 · binds PHE16, TYR19, MET20, VAL23, VAL25, THR29, VAL32, ALA33 and 9 more

Residues it binds most

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

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