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Ligand · 3KT

3KT · (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one

3KT, (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one (C24 H42 N4 O, 402.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3KT
Formula
C24 H42 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3KT in 2 structures; the first of them:

  • 4R91 · BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexy… · 3KT A502 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 13 more
  • 4R91 · Bace-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3… · 3KT A502 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 13 more

Residues it binds most

GLY 4, ILE 4, THR 4, ASP 4, SER 4, TYR 4, ARG 4, GLN 4, LEU 4, PHE 4 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid

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