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Ligand · I56

I56 · 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[1,1'-biphenyl]-4-carboxylic acid

I56, 4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}-2-methyl[…

Component
I56
Formula
C51 H59 N7 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

I56 in 2 structures; the first of them:

  • 7TH6 · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · I56 A301 · binds ARG97, SER101, PHE102, GLN105, ASN113, GLY114, THR115, GLY116 and 14 more
  • 7TH6 · Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic… · I56 A301 · binds ARG97, SER101, PHE102, GLN105, ASN113, GLY114, THR115, GLY116 and 14 more

Residues it binds most

GLY 2, ASN 2, ALA 2, ARG 2, GLN 2, PHE 2, SER 2, THR 2, HIS 2, LEU 2 (residue and the binding sites it lines).

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