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Ligand · 3NA

3NA · {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid

3NA, {3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid (C18 H11 F3 N2 O2 S, 376.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
3NA
Formula
C18 H11 F3 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3NA in 2 structures; the first of them:

  • 1Z3N · Human aldose reductase in complex with NADP+ and the inhibitor lidorestat at 1.04 angstrom · 3NA A320 · binds TRP20, TYR48, TRP79, CYS80, HIS110, TRP111, THR113, PHE115 and 9 more
  • 1Z3N · Human aldose reductase in complex with NADP+ and the inhibitor lidorestat at 1.04 ångström · 3NA A320 · binds TRP20, TYR48, TRP79, CYS80, HIS110, TRP111, THR113, PHE115 and 9 more

Residues it binds most

TRP 2, CYS 2, PHE 2, TYR 2, ALA 2, HIS 2, LEU 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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