3RTP
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Mitogen-activated protein kinase 10 | polymer | 363 | 41870.4 | 1 | UniProt (P53779) Pfam (PF00069) | Homo sapiens (human) | MAP kinase 10, MAPK 10, MAP kinase p49 3F12, Stress-activated protein kinase JNK3, c-Jun N-terminal kinase 3 |
| 2 | B (A) | N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | non-polymer | 378.4 | 1 | Chemie (34I) | |||
| 3 | C (A) | water | water | 18.0 | 17 | Chemie (HOH) |
Sequence modifications
A: 40 - 401 (UniProt: P53779)
| PDB | External Database | Details |
|---|---|---|
| Ala 39 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 41870.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 378.4 | |
| All* | Total formula weight | 42248.8 |
