GL1X · GenesisL1 explorer

Ligand · I3X

I3X · (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-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-benzopentaazacyclotetracosine-19-carboxamide

I3X, (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21…

Component
I3X
Formula
C49 H57 N7 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

I3X in 2 structures; the first of them:

  • 7TGV · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · I3X X201 · binds ARG55, SER59, PHE60, MET61, GLN63, ASN71, GLY72, THR73 and 17 more
  • 7TGV · Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic… · I3X X201 · binds ARG55, PHE60, GLN63, ASN71, GLY72, THR73, GLY74, GLY75 and 13 more

Residues it binds most

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

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