8DG6
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 | 228 | 24438.8 | 1 | UniProt (P00746) Pfam (PF00089) In PDB | Homo sapiens (human) | Adipsin,C3 convertase activator,Properdin factor D |
| 2 | A | 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide | non-polymer | 457.9 | 1 | Chemie (S7X) | |||
| 3 | water | water | 18.0 | 87 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24438.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 457.9 | |
| All* | Total formula weight | 24896.7 |
