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Ligand · ED5

ED5 · tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate

ED5, tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate (C32 H42 N6 O4 S, 606.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records…

Component
ED5
Formula
C32 H42 N6 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

ED5 in 4 structures; the first of them:

  • 3E37 · Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor… · ED5 B1 · binds TYR166, LEU98, TRP104, TRP108, ALA153, TYR156, ARG204, TYR207 and 14 more
  • 4LNB · Aspergillus fumigatus protein farnesyltransferase ternary complex with… · ED5 B603 · binds TYR109, PHE166, ALA168, LEU169, SER172, TRP179, ARG274, TYR336 and 6 more
  • 3E37 · Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor… · ED5 B1 · binds TYR166, LEU98, TRP104, TRP108, ALA153, TYR156, ARG204, TYR207 and 14 more
  • 4LNB · Aspergillus fumigatus protein farnesyltransferase ternary complex with… · ED5 B603 · binds TYR109, PHE166, ALA168, LEU169, SER172, TRP179, ARG274, TYR336 and 6 more

Residues it binds most

TYR 4, ASP 4, CYS 4, TRP 4, HIS 4, ALA 4, ARG 4, LEU 4, PHE 4, GLY 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • FPP · Farnesyl diphosphate
  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose
  • EDO · 1,2-ethanediol

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