GL1X · GenesisL1 explorer

Ligand · 3KW

3KW · (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one

3KW, (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one (C28 H39 N5 O, 461.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3KW
Formula
C28 H39 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3KW in 2 structures; the first of them:

  • 4R95 · BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoim… · 3KW A503 · binds LEU91, ASP93, GLY95, SER96, VAL130, TYR132, GLN134, LYS168 and 11 more
  • 4R95 · Bace-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2… · 3KW A503 · 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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