2P33
Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | c-Jun N-terminal kinase 3 | polymer | 365 | 42116.7 | 1 | UniProt (P53779) Pfam (PF00069) | Homo sapiens (human) | Mitogen-activated protein kinase 10, Stress-activated protein kinase JNK3, MAP kinase p49 3F12 |
| 2 | B (A) | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | non-polymer | 398.9 | 1 | Chemie (J07) | |||
| 3 | C (A) | water | water | 18.0 | 44 | Chemie (HOH) |
Sequence modifications
A: 40 - 402 (UniProt: P53779)
| PDB | External Database | Details |
|---|---|---|
| Met 38 | - | cloning artifact |
| Gly 39 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42116.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 398.9 | |
| All* | Total formula weight | 42515.6 |
