Ligand · E51

E51 · (2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide

E51, (2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide (C26 H42 N2 O5 S, 494.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component: E51
Formula: C26 H42 N2 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

E51 in 2 structures; the first of them:

5QCU · Crystal structure of BACE complex with BMC022 · E51 A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 17 more
5QCU · Crystal structure of bace complex with BMC022 · E51 A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 12 more

Residues it binds most

GLY 6, ILE 6, THR 6, ASP 6, GLN 6, TYR 6, SER 5, LEU 6, TRP 6, PRO 5 (residue and the binding sites it lines).

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