Ligand · 012

012 · (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide

012, (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide (C31 H39 N5 O4, 545.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component: 012
Formula: C31 H39 N5 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

012 in 2 structures; the first of them:

3CKP · Crystal structure of BACE-1 in complex with inhibitor · 012 A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 16 more
3CKP · Crystal structure of bace-1 in complex with inhibitor · 012 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, SER 6, TYR 6, LEU 6, PHE 6, PRO 6 (residue and the binding sites it lines).

Found with

CL · Chloride ion

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