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Ligand · 53N

53N · 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid

53N, 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid (C13 H11 N O4 S, 277.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
53N
Formula
C13 H11 N O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

53N in 4 structures; the first of them:

  • 3DN5 · Aldose Reductase in complex with novel biarylic inhibitor · 53N A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
  • 4YU1 · Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic… · 53N A402 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
  • 3DN5 · Aldose reductase in complex with novel biarylic inhibitor · 53N A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
  • 4YU1 · Human aldose reductase complexed with SCHL12134 (3-[5-(3-nitrophenyl)… · 53N A402 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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