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Ligand · 2X9

2X9 · {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid

2X9, {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid (C17 H13 F3 N2 O2 S, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2X9
Formula
C17 H13 F3 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2X9 in 2 structures; the first of them:

  • 4GCA · Complex of Aldose Reductase with inhibitor IDD 1219 · 2X9 A402 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
  • 4GCA · Complex of aldose reductase with inhibitor idd 1219 · 2X9 A402 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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