GL1X · GenesisL1 explorer

Ligand · 3KO

3KO · (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one

3KO, (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one (C24 H40 N4 O2, 416.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3KO
Formula
C24 H40 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3KO in 2 structures; the first of them:

  • 4R8Y · BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin… · 3KO A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 14 more
  • 4R8Y · Bace-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2… · 3KO A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 14 more

Residues it binds most

GLY 4, ILE 4, SER 4, ASP 4, THR 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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