4B0Q
Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | BETA-SECRETASE 1 | polymer | 384 | 42808.3 | 1 | UniProt (P56817) Pfam (PF00026) | HOMO SAPIENS (HUMAN) | ASPARTYL PROTEASE 2, ASP2, ASP 2, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, BETA-SITE APP CLEAVING ENZYME 1, MEMAPSIN-2, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2 |
| 2 | B (A) | 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine | non-polymer | 332.4 | 1 | Chemie (GMF) | |||
| 3 | C, D, E (A) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 4 | F (A) | water | water | 18.0 | 320 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42808.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 509.5 | |
| All* | Total formula weight | 43317.8 |
