| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 27 | No |
Popular Name: 3-(7-benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-1,4-benzoquinone 3-(7-benzyloxy-1H-indol-3-yl)-2,…
| 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) | 2.77 | 6.87 | -51.03 | 2 | 6 | -1 | 102 | 360.345 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 6.96 | -46.49 | 2 | 6 | -1 | 102 | 360.345 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 10.15 | -112.4 | 1 | 6 | -2 | 105 | 359.337 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP1-2-E | Dual Specificity Phosphatase Cdc25A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4200 | 0.28 | Binding ≤ 10μM |
| MPIP2-1-E | Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4200 | 0.28 | Binding ≤ 10μM |
| MPIP3-2-E | Dual Specificity Phosphatase Cdc25C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6900 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP1_HUMAN | P30304 | Dual Specificity Phosphatase Cdc25A, Human | 4200 | 0.28 | Binding ≤ 10μM |
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 4200 | 0.28 | Binding ≤ 10μM |
| MPIP3_HUMAN | P30307 | Dual Specificity Phosphatase Cdc25C, Human | 6900 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| 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 |
