6TPF
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Tyrosine-protein kinase JAK1 | polymer | 291 | 33618.3 | 2 | UniProt (P23458) Pfam (PF07714) | Homo sapiens | Janus kinase 1,JAK-1 |
| 2 | C, D (A, B) | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide | non-polymer | 350.4 | 2 | Chemie (NTQ) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 71 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67236.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 700.7 | |
| All* | Total formula weight | 67937.4 |
