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Ligand · I84

I84 · [2,6-dimethyl-4-(2-O-tolyl-acetylamino)-benzenesulfonyl]-glycine

I84, [2,6-dimethyl-4-(2-O-tolyl-acetylamino)-benzenesulfonyl]-glycine (C19 H22 N2 O5 S, 390.4 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…

Component
I84
Formula
C19 H22 N2 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

I84 in 4 structures; the first of them:

  • 1EKO · Pig aldose reductase complexed with IDD384 inhibitor · I84 A320 · binds TRP20, VAL47, TYR48, LYS77, TRP79, HIS110, TRP111, PHE122 and 4 more
  • 1EL3 · Human aldose reductase complexed with IDD384 inhibitor · I84 A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, PRO218 and 2 more
  • 1EKO · Pig aldose reductase complexed with IDD384 inhibitor · I84 A320 · binds TRP20, VAL47, TYR48, LYS77, TRP79, HIS110, TRP111, PHE122 and 4 more
  • 1EL3 · Human aldose reductase complexed with IDD384 inhibitor · I84 A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, PRO218 and 2 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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