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Ligand · R3E

R3E · (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione

R3E, (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione (C45 H57 N O10, 771.9 g/mol), in the…

Component
R3E
Formula
C45 H57 N O10
Class
ligand
Structures
1
PDB entries
1

Binding sites

R3E in 1 structure; the first of them:

  • 7A6W · Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 33-(Z) · R3E AAA201 · binds TYR57, GLY59, LYS60, LEU61, LYS66, ASP68, PHE77, GLY84 and 11 more

Residues it binds most

LYS 2, GLY 2, ILE 2, LEU 2, PHE 2, TYR 2, GLN 2, ALA 2, ASP 2, GLU 1 (residue and the binding sites it lines).

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