3L16
Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | polymer | 966 | 110727.1 | 1 | UniProt (P48736) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) | Homo sapiens (human) | PI3-kinase p110 subunit gamma, PtdIns-3-kinase subunit p110, PI3Kgamma, PI3K, p120-PI3K |
| 2 | B (A) | 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine | non-polymer | 489.6 | 1 | Chemie (JZX) |
Sequence modifications
A: 144 - 1102 (UniProt: P48736)
| PDB | External Database | Details |
|---|---|---|
| Met 143 | - | expression tag |
| His 1103 | - | expression tag |
| His 1104 | - | expression tag |
| His 1105 | - | expression tag |
| His 1106 | - | expression tag |
| His 1107 | - | expression tag |
| His 1108 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 110727.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 489.6 | |
| All* | Total formula weight | 111216.7 |
