| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | No |
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) | 4.25 | 9.7 | -9.17 | 0 | 6 | 0 | 92 | 336.347 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 10.07 | -40.9 | 0 | 6 | -1 | 98 | 335.339 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP1-2-E | Dual Specificity Phosphatase Cdc25A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6870 | 0.29 | Binding ≤ 10μM |
| MPIP2-1-E | Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5330 | 0.30 | Binding ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 6590 | 0.29 | Functional ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 2390 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP1_HUMAN | P30304 | Dual Specificity Phosphatase Cdc25A, Human | 6870 | 0.29 | Binding ≤ 10μM |
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 5330 | 0.30 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 6590 | 0.29 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 2390 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin B2 mediated events | |
| Cyclin E associated events during G1/S transition | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| p53-Independent DNA Damage Response | |
| Polo-like kinase mediated events | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
