3SHE
Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | MAP kinase-activated protein kinase 3 | polymer | 317 | 36428.6 | 1 | UniProt (Q16644) Pfam (PF00069) In PDB | Homo sapiens (human) | MK3, MAPK-activated protein kinase 3, MAPKAP kinase 3, MAPKAPK-3, Chromosome 3p kinase, 3pK |
| 2 | A | N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide | non-polymer | 469.5 | 1 | Chemie (I85) | |||
| 3 | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36428.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 469.5 | |
| All* | Total formula weight | 36898.1 |
