8D95
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Complement factor D | polymer | 230 | 24597.0 | 1 | UniProt (P00746) Pfam (PF00089) In PDB | Homo sapiens (human) | Adipsin,C3 convertase activator,Properdin factor D |
| 2 | A | N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide | non-polymer | 413.3 | 1 | Chemie (QIE) | |||
| 3 | water | water | 18.0 | 56 | Chemie (HOH) |
Sequence modifications
A: 1 - 228 (UniProt: P00746)
| PDB | External Database | Details |
|---|---|---|
| Ser 229 | - | expression tag |
| Ala 230 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24597.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 413.3 | |
| All* | Total formula weight | 25010.2 |
