| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 33 | Yes |
Popular Name: 3-benzyloxy-5-[6-[(1-methyl-4-piperidyl)oxy]benzimidazol-1-yl]thiophene-2-carboxamide 3-benzyloxy-5-[6-[(1-methyl-4-pi…
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) | 3.34 | 11.9 | -51.77 | 3 | 7 | 1 | 84 | 463.583 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 9.52 | -14.48 | 2 | 7 | 0 | 83 | 462.575 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.34 | 12.38 | -97.97 | 4 | 7 | 2 | 85 | 464.591 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NEK2-1-E | Serine/threonine-protein Kinase NEK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5430 | 0.22 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 69 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 69 | 0.30 | Binding ≤ 1μM |
| NEK2_HUMAN | P51955 | Serine/threonine-protein Kinase NEK2, Human | 5430 | 0.22 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 69 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Condensation of Prophase Chromosomes | |
| Cyclin A/B1 associated events during G2/M transition | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Mitotic Metaphase/Anaphase Transition | |
| Mitotic Prometaphase | |
| Mitotic Telophase/Cytokinesis | |
| Phosphorylation of Emi1 | |
| Phosphorylation of the APC/C | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids |
No pre-computed analogs available. Try a structural similarity search.
