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Ligand · I4F

I4F · (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-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

I4F, (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-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…

Component
I4F
Formula
C41 H51 N7 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

I4F in 2 structures; the first of them:

  • 7TGT · Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic… · I4F X201 · binds ARG56, SER60, PHE61, MET62, GLN64, ASN72, GLY73, THR74 and 12 more
  • 7TGT · Structure of cyclophilin D peptidyl-prolyl isomerase domain bound to macrocyclic… · I4F X201 · binds ARG56, SER60, PHE61, GLN64, ASN72, GLY73, THR74, ALA102 and 8 more

Residues it binds most

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

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