2VJ9: Human Bace-1 In Complex With N-((1s,2r)-3-(Cyclohexylamino)- 2-Hydroxy-1-(Phenylmethyl)propyl)-3-(Ethylamino)-5-(2-Oxo- 1-Pyrrolidinyl)benzamide

This paper describes the discovery of non-peptidic, potent, and selective hydroxy ethylamine (HEA) inhibitors of BACE-1 by replacement of the prime side of a lead di-amide 2. Inhibitors with nanosmolar potency and high selectivity were identified. Depending on the nature of the P(1)(') and P(2)(') substituents, two different binding modes were observed in X-ray co-crystal structures.
PDB ID: 2VJ9Download
MMDB ID: 62135
PDB Deposition Date: 2007/12/7
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 1.6  Å
Source Organism:
Similar Structures:
Biological Unit for 2VJ9: monomeric; determined by author and by software (PQS)
Molecular Components in 2VJ9
Label Count Molecule
Protein (1 molecule)
Beta-secretase 1(Gene symbol: BACE1)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB