| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 35 | Yes |
Popular Name: GSK 461364 analogue I GSK 461364 analogue I
Find On: PubMed — Wikipedia — Google
CAS Number: 929095-23-8
| 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) | 4.33 | 12.96 | -50.54 | 3 | 7 | 1 | 84 | 512.055 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 10.56 | -12.27 | 2 | 7 | 0 | 83 | 511.047 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 13.44 | -95.41 | 4 | 7 | 2 | 85 | 513.063 | 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 | 21 | 0.31 | Binding ≤ 10μM |
| NUAK1-1-E | NUAK Family SNF1-like Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.23 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.26 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 310 | 0.26 | Binding ≤ 10μM |
| PK3CD-2-E | PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 440 | 0.25 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.35 | Binding ≤ 10μM |
| PLK3-1-E | Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 630 | 0.25 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.24 | Binding ≤ 10μM |
| Z100745-1-O | MX1 (Breast Carcinoma Cells) (cluster #1 Of 2), Other | Other | 9 | 0.32 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 3 | 0.34 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 11 | 0.32 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 11 | 0.32 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 11 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 440 | 0.25 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 420 | 0.26 | Binding ≤ 1μM |
| NEK2_HUMAN | P51955 | Serine/threonine-protein Kinase NEK2, Human | 21 | 0.31 | Binding ≤ 1μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 310 | 0.26 | Binding ≤ 1μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 2 | 0.35 | Binding ≤ 1μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 630 | 0.25 | Binding ≤ 1μM |
| NUAK1_HUMAN | O60285 | NUAK Family SNF1-like Kinase 1, Human | 2000 | 0.23 | Binding ≤ 10μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 440 | 0.25 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 420 | 0.26 | Binding ≤ 10μM |
| NEK2_HUMAN | P51955 | Serine/threonine-protein Kinase NEK2, Human | 21 | 0.31 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 310 | 0.26 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 2 | 0.35 | Binding ≤ 10μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 630 | 0.25 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1200 | 0.24 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 11 | 0.32 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 11 | 0.32 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 3 | 0.34 | Functional ≤ 10μM |
| Z100745 | Z100745 | MX1 (Breast Carcinoma Cells) | 9 | 0.32 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 11 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Cyclin A/B1 associated events during G2/M transition | |
| Downstream signal transduction | |
| EPHA-mediated growth cone collapse | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Integrin cell surface interactions | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| 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 | |
| PIP3 activates AKT signaling | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of signaling by CBL | |
| Resolution of Sister Chromatid Cohesion | |
| Separation of Sister Chromatids | |
| Signaling by PDGF | |
| Synthesis of PIPs at the plasma membrane | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
