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Ligand · I3Q

I3Q · (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-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

I3Q, (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-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 (C34…

Component
I3Q
Formula
C34 H45 N7 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

I3Q in 2 structures; the first of them:

  • 7TGS · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · I3Q X201 · binds ARG55, ILE57, PHE60, GLN63, ASN71, GLY72, THR73, GLY74 and 11 more
  • 7TGS · Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic… · I3Q X201 · binds ARG55, PHE60, GLN63, GLY72, THR73, ALA101, ASN102, ALA103 and 6 more

Residues it binds most

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

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