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Ligand · I26

I26 · (2R)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid

I26, (2R)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid (C24 H33 F N4 O3, 444.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
I26
Formula
C24 H33 F N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

I26 in 2 structures; the first of them:

  • 2V3O · Thrombin with 3-cycle with F · I26 H1246 · binds HIS57, TYR60A, TRP60D, LYS60F, GLU97A, ASN98, LEU99, ILE174 and 13 more
  • 2V3O · Thrombin with 3-cycle with F · I26 H1246 · binds HIS57, TYR60A, TRP60D, LYS60F, GLU97A, ASN98, LEU99, ILE174 and 13 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • SIN · Succinic acid

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