| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2010 | 33 | 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) | 1.49 | 7.93 | -49.42 | 4 | 10 | 1 | 116 | 449.539 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA2-1-E | Cyclin A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 355 | 0.27 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 355 | 0.27 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1904 | 0.24 | Binding ≤ 10μM |
| PLK1-1-E | Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.35 | Binding ≤ 10μM |
| PLK2-1-E | Serine/threonine-protein Kinase PLK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 238 | 0.28 | Binding ≤ 10μM |
| PLK3-1-E | Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 450 | 0.27 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 587 | 0.26 | Binding ≤ 10μM |
| Z104294-1-O | Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other | Other | 219 | 0.28 | Binding ≤ 10μM |
| Z104296-1-O | Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other | Other | 160 | 0.29 | Binding ≤ 10μM |
| Z104299-1-O | Cyclin-dependent Kinase 2/cyclin E1 (cluster #1 Of 1), Other | Other | 347 | 0.27 | Binding ≤ 10μM |
| Z103205-1-O | A431 (cluster #1 Of 4), Other | Other | 10 | 0.34 | Functional ≤ 10μM |
| Z80211-1-O | LoVo (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 78 | 0.30 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 44 | 0.31 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 25 | 0.32 | Functional ≤ 10μM |
| Z80942-1-O | HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other | Other | 5 | 0.35 | Functional ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 9 | 0.34 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 8 | 0.34 | Functional ≤ 10μM |
| Z80335-1-O | NHDF (cluster #1 Of 2), Other | Other | 73 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 355 | 0.27 | Binding ≤ 1μM |
| Z104296 | Z104296 | Cyclin-dependent Kinase 1/cyclin B1 | 160 | 0.29 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 355 | 0.27 | Binding ≤ 1μM |
| Z104299 | Z104299 | Cyclin-dependent Kinase 2/cyclin E1 | 347 | 0.27 | Binding ≤ 1μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 219 | 0.28 | Binding ≤ 1μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 7 | 0.35 | Binding ≤ 1μM |
| PLK2_HUMAN | Q9NYY3 | Serine/threonine-protein Kinase PLK2, Human | 238 | 0.28 | Binding ≤ 1μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 450 | 0.27 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 587 | 0.26 | Binding ≤ 1μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 355 | 0.27 | Binding ≤ 10μM |
| Z104296 | Z104296 | Cyclin-dependent Kinase 1/cyclin B1 | 160 | 0.29 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 355 | 0.27 | Binding ≤ 10μM |
| Z104299 | Z104299 | Cyclin-dependent Kinase 2/cyclin E1 | 347 | 0.27 | Binding ≤ 10μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 219 | 0.28 | Binding ≤ 10μM |
| PLK1_HUMAN | P53350 | Serine/threonine-protein Kinase PLK1, Human | 7 | 0.35 | Binding ≤ 10μM |
| PLK2_HUMAN | Q9NYY3 | Serine/threonine-protein Kinase PLK2, Human | 238 | 0.28 | Binding ≤ 10μM |
| PLK3_HUMAN | Q9H4B4 | Serine/threonine-protein Kinase PLK3, Human | 450 | 0.27 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 1904 | 0.24 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 587 | 0.26 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 11 | 0.34 | Functional ≤ 10μM |
| Z103205 | Z103205 | A431 | 10 | 0.34 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 25 | 0.32 | Functional ≤ 10μM |
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 5 | 0.35 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 8 | 0.34 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 66 | 0.30 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 44 | 0.31 | Functional ≤ 10μM |
| Z80335 | Z80335 | NHDF | 73 | 0.30 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| Activation of the pre-replicative complex | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Factors involved in megakaryocyte development and platelet production | |
| G0 and Early G1 | |
| G2 Phase | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Meiotic recombination | |
| Mitotic Metaphase/Anaphase Transition | |
| Mitotic Prometaphase | |
| Mitotic Telophase/Cytokinesis | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| PIP3 activates AKT signaling | |
| Polo-like kinase mediated events | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Separation of Sister Chromatids | |
| Signaling by SCF-KIT | |
| VEGF binds to VEGFR leading to receptor dimerization |
No pre-computed analogs available. Try a structural similarity search.