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Ligand · 779

779 · 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea

779, 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea (C26 H39 N5 O2, 453.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
779
Formula
C26 H39 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

779 in 2 structures; the first of them:

  • 4R93 · BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylure… · 779 A503 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, LYS168 and 11 more
  • 4R93 · Bace-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4… · 779 A503 · binds LEU91, ASP93, GLY95, SER96, VAL130, PRO131, TYR132, 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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