Cloned (Comment) | Organism |
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- |
Homo sapiens |
Crystallization (Comment) | Organism |
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in complex with inhibitor 6-[(3R,4S)-3-benzyl-4-hydroxy-5-oxo-5-[[3-(2H-tetrazol-5-yl)phenyl]amino]pentanoyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-4H-pyran-2-carboxamide. The P3 benzene ring tightly occupies the S3 sub-pocket of BACE1. Particularly, the fluorine atom of the compound seems to interact with the side chains of the hydrophobic amino acids Ala335 and Tyr14 | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
6-[(3R,4S)-3-benzyl-4-hydroxy-5-oxo-5-[[3-(2H-tetrazol-5-yl)phenyl]amino]pentanoyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-4H-pyran-2-carboxamide | 76% inhibition at 2 microM | Homo sapiens | |
additional information | BACE1 inhibitors possessing a chelidonic or 2,6-pyridinedicarboxylic scaffold at the P2 position. Small-sized and hydrophobic residues at the P2 and P3 positions are preferable for BACE1 inhibition. The membrane permeability of these non-peptidic BACE1 inhibitors is similar to that of peptidic compounds | Homo sapiens |
Organism | UniProt | Comment | Textmining |
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Homo sapiens | P56817 | - |
- |