Ligand · 009

009 · (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide

009, (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide (C37 H43 N5 O3, 605.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: 009
Formula: C37 H43 N5 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

009 in 2 structures; the first of them:

3CKR · Crystal structure of BACE-1 in complex with inhibitor · 009 A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 16 more
3CKR · Crystal structure of bace-1 in complex with inhibitor · 009 A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 16 more

Residues it binds most

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

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