| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 35 | Yes |
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.88 | 12.65 | -46.73 | 4 | 9 | 1 | 103 | 495.677 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 10.81 | -14.15 | 3 | 9 | 0 | 102 | 494.669 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.88 | 13.13 | -85.39 | 5 | 9 | 2 | 105 | 496.685 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-1-E | Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.36 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 11 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 1.3 | 0.36 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 0.8 | 0.36 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 1.3 | 0.36 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 0.8 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Mitotic Prometaphase | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids |
