| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 26 | No |
Popular Name: fluoroBLAHdione fluoroBLAHdione
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) | 3.89 | 5.74 | -9.79 | 3 | 5 | 0 | 82 | 343.317 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNE1-2-E | G1/S-specific Cyclin E1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 141 | 0.37 | Binding ≤ 10μM |
| CCNE2-2-E | G1/S-specific Cyclin E2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 141 | 0.37 | Binding ≤ 10μM |
| CDK2-2-E | Cyclin-dependent Kinase 2 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 141 | 0.37 | Binding ≤ 10μM |
| KCC2A-1-E | CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 92 | 0.38 | Binding ≤ 10μM |
| KCC2B-1-E | CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 92 | 0.38 | Binding ≤ 10μM |
| Z104295-1-O | Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other | Other | 103 | 0.38 | Binding ≤ 10μM |
| Z80928-5-O | HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other | Other | 3530 | 0.29 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 2600 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 92 | 0.38 | Binding ≤ 1μM |
| KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 92 | 0.38 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 141 | 0.37 | Binding ≤ 1μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 103 | 0.38 | Binding ≤ 1μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 141 | 0.37 | Binding ≤ 1μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 141 | 0.37 | Binding ≤ 1μM |
| KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 92 | 0.38 | Binding ≤ 10μM |
| KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 92 | 0.38 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 141 | 0.37 | Binding ≤ 10μM |
| Z104295 | Z104295 | Cyclin-dependent Kinase 4/cyclin D1 | 103 | 0.38 | Binding ≤ 10μM |
| CCNE1_HUMAN | P24864 | G1/S-specific Cyclin E1, Human | 141 | 0.37 | Binding ≤ 10μM |
| CCNE2_HUMAN | O96020 | G1/S-specific Cyclin E2, Human | 141 | 0.37 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 3530 | 0.29 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 2600 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| Ca2+ pathway | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| CREB phosphorylation through the activation of CaMKII | |
| CREB phosphorylation through the activation of Ras | |
| 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 | |
| E2F mediated regulation of DNA replication | |
| Factors involved in megakaryocyte development and platelet production | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2 Phase | |
| HSF1-dependent transactivation | |
| Interferon gamma signaling | |
| Meiotic recombination | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Trafficking of AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation |
