GL1X · GenesisL1 explorer

Ligand · 3KU

3KU · N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide

3KU, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide (C25 H37 N5 O2, 439.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3KU
Formula
C25 H37 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3KU in 2 structures; the first of them:

  • 4R92 · BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl… · 3KU A501 · binds LEU91, ASP93, GLY95, SER96, VAL130, TYR132, GLN134, LYS168 and 11 more
  • 4R92 · Bace-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3… · 3KU A501 · binds LEU91, ASP93, GLY95, SER96, VAL130, TYR132, GLN134, LYS168 and 11 more

Residues it binds most

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

Found with

  • TLA · L(+)-tartaric acid

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