Ligand · 09E

09E · (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

09E, (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate (C21 H19 Br N2 O5 S, 491.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: 09E
Formula: C21 H19 Br N2 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

09E in 2 structures; the first of them:

3UDQ · Crystal Structure of BACE with Compound 13 · 09E A4000 · binds LEU30, ASP32, GLY34, SER35, PRO70, TYR71, THR72, GLN73 and 11 more
3UDQ · Crystal structure of bace with compound 13 · 09E A4000 · binds LEU30, ASP32, GLY34, SER35, PRO70, TYR71, THR72, GLN73 and 11 more

Residues it binds most

ILE 2, THR 2, ASP 2, GLY 2, TYR 2, ARG 2, GLN 2, LEU 2, PHE 2, PRO 2 (residue and the binding sites it lines).

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