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Ligand · I25

I25 · (2R)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid

I25, (2R)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid (C24 H34 N4 O3, 426.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
I25
Formula
C24 H34 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

I25 in 2 structures; the first of them:

  • 2V3H · Thrombin with 3-cycle no F · I25 H1246 · binds HIS57, TYR60A, TRP60D, LEU99, ASP189, ALA190, CYS191, GLU192 and 8 more
  • 2V3H · Thrombin with 3-cycle no F · I25 H1246 · binds HIS57, TYR60A, TRP60D, LEU99, ASP189, ALA190, CYS191, GLU192 and 8 more

Residues it binds most

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

Found with

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

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