3VAP
Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Aurora kinase A | polymer | 272 | 31440.2 | 1 | UniProt (O14965) Pfam (PF00069) In PDB | Homo sapiens (human) | Aurora 2, Aurora/IPL1-related kinase 1, ARK-1, Aurora-related kinase 1, hARK1, Breast tumor-amplified kinase, Serine/threonine-protein kinase 15, Serine/threonine-protein kinase 6, Serine/threonine-protein kinase aurora-A |
| 2 | A | 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium | non-polymer | 563.7 | 1 | Chemie (0FY) |
Sequence modifications
A: 125 - 391 (UniProt: O14965)
| PDB | External Database | Details |
|---|---|---|
| Gly 120 | - | expression tag |
| Ala 121 | - | expression tag |
| Met 122 | - | expression tag |
| Gly 123 | - | expression tag |
| Ser 124 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31440.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 563.7 | |
| All* | Total formula weight | 32003.8 |
