Ligand · 09D

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

09D, (4S)-6-bromo-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 O3 S, 459.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: 09D
Formula: C21 H19 Br N2 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

09D in 2 structures; the first of them:

3UDP · Crystal Structure of BACE with Compound 12 · 09D A501 · binds LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71, THR72 and 12 more
3UDP · Crystal structure of bace with compound 12 · 09D A501 · binds LEU30, ASP32, GLY34, SER35, VAL69, PRO70, TYR71, THR72 and 12 more

Residues it binds most

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

Found with

ZN · Zinc ion
EDO · 1,2-ethanediol
PEG · Di(hydroxyethyl)ether

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