Ligand · L3J

L3J · (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15, 17-hexaen-4-yl]methyl}-D-threoninamide

L3J, (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15, 17-hexaen-4-yl]methyl}-D-threoninamide (C32 H46 N4 O5 S, 598.8 g/mol), in the MolNFT structures on…

Component: L3J
Formula: C32 H46 N4 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

L3J in 2 structures; the first of them:

6NV7 · BACE1 in complex with a macrocyclic inhibitor · L3J A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, PRO70 and 15 more
6NV7 · BACE1 in complex with a macrocyclic inhibitor · L3J A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, PRO70 and 15 more

Residues it binds most

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

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