4F09
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Tyrosine-protein kinase JAK2 | polymer | 302 | 35486.3 | 1 | UniProt (O60674) Pfam (PF07714) | Homo sapiens (human) | Janus kinase 2, JAK-2 |
| 2 | B (A) | 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine | non-polymer | 255.3 | 1 | Chemie (JAK) | |||
| 3 | C (A) | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
A: 833 - 1132 (UniProt: O60674)
| PDB | External Database | Details |
|---|---|---|
| Gly 831 | - | expression tag |
| Ser 832 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35486.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 255.3 | |
| All* | Total formula weight | 35741.6 |
