| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 24 | Yes |
Popular Name: N2-[4-(1,3-benzothiazol-2-yl)phenyl]-N4-methyl-pyrimidine-2,4-diamine N2-[4-(1,3-benzothiazol-2-yl)phe…
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) | 4.66 | 10.48 | -38.77 | 3 | 5 | 1 | 64 | 334.428 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 9.99 | -11.69 | 2 | 5 | 0 | 63 | 333.42 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-3-E | Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1500 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 1500 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Regulation of PLK1 Activity at G2/M Transition |
