2YDK
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
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 | 276 | 31840.7 | 1 | UniProt (O14757) Pfam (PF00069) | HOMO SAPIENS (HUMAN) | CHK1 CHECKPOINT KINASE |
| 2 | B (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C, D, E, F, G (A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 4 | H (A) | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE | non-polymer | 344.4 | 1 | Chemie (YDK) | |||
| 5 | I (A) | water | water | 18.0 | 292 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31840.7 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 901.0 | |
| All* | Total formula weight | 32741.7 |
