7X6T
Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine 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) | Isoform C of Bromodomain-containing protein 4 | polymer | 124 | 14740.0 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (human) | Protein HUNK1 |
| 2 | B (A) | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide | non-polymer | 388.4 | 1 | Chemie (97F) | |||
| 3 | C (A) | water | water | 18.0 | 146 | Chemie (HOH) |
Sequence modifications
A: 42 - 165 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Met 43 | Thr 43 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 14740.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 388.4 | |
| All* | Total formula weight | 15128.5 |
