Ligand · E6S

E6S · (3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl) phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione

E6S, (3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl) phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione (C29 H49 N3 O4, 503.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: E6S
Formula: C29 H49 N3 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

E6S in 2 structures; the first of them:

5QD6 · Crystal structure of BACE complex with BMC004 · E6S A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 16 more
5QD6 · Crystal structure of bace complex with BMC004 · E6S A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 14 more

Residues it binds most

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

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