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Ligand · 1I9

1I9 · 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy) methyl]-3-{(1R)-1-[(1R,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one

1I9, 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy) methyl]-3-{(1R)-1-[(1R,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one (C28 H33 Cl N6 O3, 537.1 g/mol), in the MolNFT structures on…

Component
1I9
Formula
C28 H33 Cl N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1I9 in 2 structures; the first of them:

  • 7NA4 · HDM2 in complex with compound 63 · 1I9 A201 · binds LEU54, LEU57, GLY58, GLN59, ILE61, MET62, TYR67, VAL75 and 8 more
  • 7NA4 · HDM2 in complex with compound 63 · 1I9 A201 · binds LEU54, LEU57, GLY58, GLN59, ILE61, MET62, TYR67, PHE86 and 6 more

Residues it binds most

ILE 2, LEU 2, PHE 2, TYR 2, VAL 2, GLN 2, GLY 2, HIS 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol

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