| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 20 | No |
| 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) | 2.39 | -1.65 | -12.14 | 4 | 6 | 0 | 111 | 274.228 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK-1-E | ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.42 | Binding ≤ 10μM |
| AURKB-2-E | Serine/threonine-protein Kinase Aurora-B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.44 | Binding ≤ 10μM |
| IGF1R-1-E | Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8600 | 0.35 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4400 | 0.37 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.46 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8800 | 0.35 | Binding ≤ 10μM |
| UFO-1-E | Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6600 | 0.36 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.43 | Binding ≤ 10μM |
| Z80208-1-O | L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other | Other | 400 | 0.45 | Functional ≤ 10μM |
| Z81034-6-O | A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other | Other | 4340 | 0.38 | Functional ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 1800 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 500 | 0.44 | Binding ≤ 1μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 300 | 0.46 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 800 | 0.43 | Binding ≤ 1μM |
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 1100 | 0.42 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 4400 | 0.37 | Binding ≤ 10μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 8600 | 0.35 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 500 | 0.44 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 300 | 0.46 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 8800 | 0.35 | Binding ≤ 10μM |
| UFO_HUMAN | P30530 | Tyrosine-protein Kinase Receptor UFO, Human | 6600 | 0.36 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 800 | 0.43 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 4340 | 0.38 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 1800 | 0.40 | Functional ≤ 10μM |
| Z80208 | Z80208 | L5178Y (Lymphoma Cells) | 400 | 0.45 | Functional ≤ 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 | |
| EPHA-mediated growth cone collapse | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Integrin cell surface interactions | |
| IRS-related events triggered by IGF1R | |
| 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 | |
| Neurophilin interactions with VEGF and VEGFR | |
| 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 | |
| Sema4D mediated inhibition of cell attachment and migration | |
| Separation of Sister Chromatids | |
| SHC-related events triggered by IGF1R | |
| Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R) | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.