| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 20 | No |
Popular Name: 2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione 2,3-Bis(2-hydroxyethylthio)-1,4-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 93718-83-3 , 94-59-7 , [93718-83-3]
| 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) | 1.13 | 2.29 | -10.08 | 2 | 4 | 0 | 75 | 310.396 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP1-2-E | Dual Specificity Phosphatase Cdc25A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5500 | 0.37 | Binding ≤ 10μM |
| MPIP2-1-E | Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3770 | 0.38 | Binding ≤ 10μM |
| MPIP3-2-E | Dual Specificity Phosphatase Cdc25C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 57 | 0.51 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3162 | 0.39 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 8500 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP1_HUMAN | P30304 | Dual Specificity Phosphatase Cdc25A, Human | 22 | 0.54 | Binding ≤ 1μM |
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 100 | 0.49 | Binding ≤ 1μM |
| MPIP3_HUMAN | P30307 | Dual Specificity Phosphatase Cdc25C, Human | 56.9 | 0.51 | Binding ≤ 1μM |
| MPIP1_HUMAN | P30304 | Dual Specificity Phosphatase Cdc25A, Human | 22 | 0.54 | Binding ≤ 10μM |
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 100 | 0.49 | Binding ≤ 10μM |
| MPIP3_HUMAN | P30307 | Dual Specificity Phosphatase Cdc25C, Human | 56.9 | 0.51 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 8500 | 0.35 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.35 | Functional ≤ 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 |
No pre-computed analogs available. Try a structural similarity search.