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Ligand · ITB

ITB · 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide

ITB, 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide (C14 H9 N O7 S, 335.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
ITB
Formula
C14 H9 N O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ITB in 2 structures; the first of them:

  • 2NVD · Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid… · ITB A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, SER210 and 4 more
  • 2NVD · Human aldose reductase complexed with novel NAPHTHO[1,2- D]ISOTHIAZOLE acetic acid… · ITB A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, SER210 and 4 more

Residues it binds most

GLU 4, ARG 4, SER 4, TRP 2, LYS 4, VAL 2, CYS 2, HIS 2, PHE 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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