2YDJ
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, B | SERINE/THREONINE-PROTEIN KINASE CHK1 | polymer | 276 | 31904.9 | 2 | UniProt (O14757) Pfam (PF00069) In PDB | HOMO SAPIENS (HUMAN) | CHK1 CHECKPOINT KINASE |
| 2 | A, B | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide | non-polymer | 362.4 | 2 | Chemie (YDJ) | |||
| 3 | A, B | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 4 | water | water | 18.0 | 414 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63809.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 914.8 | |
| All* | Total formula weight | 64724.5 |
