GL1X · GenesisL1 explorer

Ligand · I5J

I5J · (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)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

I5J, (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)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
I5J
Formula
C44 H55 N7 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

I5J in 2 structures; the first of them:

  • 7TH1 · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · I5J X201 · binds ARG55, ILE57, PRO58, SER59, PHE60, MET61, GLN63, ASN71 and 13 more
  • 7TH1 · Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic… · I5J X201 · binds ARG55, ILE57, PRO58, SER59, PHE60, GLN63, GLY72, THR73 and 10 more

Residues it binds most

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

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