| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2010 | 38 | Yes |
| 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) | 4.22 | 14.74 | -53.5 | 3 | 8 | 1 | 83 | 508.65 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Aurora Kinase | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-2-E | Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic | Eukaryotes | 492 | 0.23 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.31 | Binding ≤ 10μM |
| AURKC-1-E | Serine/threonine-protein Kinase Aurora-C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.30 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 76 | 0.26 | Binding ≤ 10μM |
| INCE-1-E | Inner Centromere Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.31 | Binding ≤ 10μM |
| SIK1-1-E | Serine/threonine-protein Kinase SIK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 70 | 0.26 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 59 | 0.27 | Binding ≤ 10μM |
| TPX2-1-E | Targeting Protein For Xklp2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.22 | Binding ≤ 10μM |
| VGFR1-1-E | Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 42 | 0.27 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 74 | 0.26 | Binding ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 7 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 76 | 0.26 | Binding ≤ 1μM |
| INCE_HUMAN | Q9NQS7 | Inner Centromere Protein, Human | 3.16227766 | 0.31 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 490 | 0.23 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 0.38 | 0.35 | Binding ≤ 1μM |
| AURKC_HUMAN | Q9UQB9 | Serine/threonine-protein Kinase Aurora-C, Human | 1.5 | 0.33 | Binding ≤ 1μM |
| SIK1_HUMAN | P57059 | Serine/threonine-protein Kinase SIK1, Human | 70 | 0.26 | Binding ≤ 1μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 59 | 0.27 | Binding ≤ 1μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 42 | 0.27 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 74 | 0.26 | Binding ≤ 1μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 76 | 0.26 | Binding ≤ 10μM |
| INCE_HUMAN | Q9NQS7 | Inner Centromere Protein, Human | 3.16227766 | 0.31 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 1100 | 0.22 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 0.38 | 0.35 | Binding ≤ 10μM |
| AURKC_HUMAN | Q9UQB9 | Serine/threonine-protein Kinase Aurora-C, Human | 1.5 | 0.33 | Binding ≤ 10μM |
| SIK1_HUMAN | P57059 | Serine/threonine-protein Kinase SIK1, Human | 70 | 0.26 | Binding ≤ 10μM |
| TPX2_HUMAN | Q9ULW0 | Targeting Protein For Xklp2, Human | 1100 | 0.22 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 59 | 0.27 | Binding ≤ 10μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 42 | 0.27 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 74 | 0.26 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 7 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Mitotic Prometaphase | |
| Neurophilin interactions with VEGF and VEGFR | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by FGFR mutants | |
| Tie2 Signaling | |
| VEGF binds to VEGFR leading to receptor dimerization |
No pre-computed analogs available. Try a structural similarity search.