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Ligand · 3E2

3E2 · (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid

3E2, (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid (C11 H8 N4 O2 S, 260.3 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, the…

Component
3E2
Formula
C11 H8 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3E2 in 2 structures; the first of them:

  • 4QX4 · Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A · 3E2 A402 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, TRP219 and 3 more
  • 4QX4 · Human aldose reductase complexed with a ligand with a new scaffold at 1.26 a · 3E2 A402 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, PHE122, TRP219 and 3 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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