2X8I
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | SERINE/THREONINE-PROTEIN KINASE CHK1 | polymer | 289 | 33043.0 | 1 | UniProt (O14757) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | CHK1 CHECKPOINT KINASE |
| 2 | B (A) | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one | non-polymer | 291.3 | 1 | Chemie (X8I) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | F (A) | water | water | 18.0 | 241 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33043.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 575.5 | |
| All* | Total formula weight | 33618.5 |
