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Ligand · I5E

I5E · 3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy) ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4, 5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid

I5E, 3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy) ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4, 5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'…

Component
I5E
Formula
C52 H63 N7 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

I5E in 2 structures; the first of them:

  • 7TH7 · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · I5E A301 · binds ARG97, PHE102, GLN105, ASN113, GLY114, THR115, GLY116, GLY117 and 16 more
  • 7TH7 · Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic… · I5E A301 · binds ARG97, PHE102, GLN105, ASN113, GLY114, THR115, GLY116, GLY117 and 16 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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