| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 14 | No |
Popular Name: 5,8-Dihydroxy-1,4-naphthoquinone 5,8-Dihydroxy-1,4-naphthoquinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 475-38-7 , 887574-80-3 , [475-38-7]
2-(Diethoxymethyl)-5,6-difluoro-1H-benzo[d]imidazole
5,8-Dihydroxy-1,4-naphthoquinone, 97%
| 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 | 2.17 | -9.54 | 2 | 4 | 0 | 75 | 190.154 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | ca 230? dec. | Alfa-Aesar |
| Melting_Point | ca 230° dec. | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS1-2-E | Dual Specificity Protein Phosphatase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9370 | 0.50 | Binding ≤ 10μM |
| DUS6-1-E | Dual Specificity Protein Phosphatase 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6900 | 0.52 | Binding ≤ 10μM |
| MPIP2-1-E | Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.60 | Binding ≤ 10μM |
| Q9BEG3-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3000 | 0.55 | Functional ≤ 10μM |
| Z80901-1-O | HaCaT (Keratinocytes) (cluster #1 Of 2), Other | Other | 700 | 0.62 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 80 | 0.71 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 1000 | 0.60 | Binding ≤ 1μM |
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 1000 | 0.60 | Binding ≤ 10μM |
| DUS1_MOUSE | P28563 | Dual Specificity Protein Phosphatase 1, Mouse | 9370 | 0.50 | Binding ≤ 10μM |
| DUS6_RAT | Q64346 | Dual Specificity Protein Phosphatase 6, Rat | 6900 | 0.52 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 80 | 0.71 | Functional ≤ 10μM |
| Q9BEG3_BOVIN | Q9BEG3 | Arachidonate 5-lipoxygenase, Bovin | 3000 | 0.55 | Functional ≤ 10μM |
| Z80901 | Z80901 | HaCaT (Keratinocytes) | 700 | 0.62 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin B2 mediated events | |
| ERKs are inactivated | |
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
