| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 39 | No |
| 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) | 1.95 | 12.04 | -51.46 | 0 | 8 | -1 | 106 | 576.701 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS1-1-E | Dual Specificity Protein Phosphatase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 780 | 0.22 | Binding ≤ 10μM |
| DUS3-1-E | Dual Specificity Protein Phosphatase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 78 | 0.26 | Binding ≤ 10μM |
| MPIP1-2-E | Dual Specificity Phosphatase Cdc25A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.20 | Binding ≤ 10μM |
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1800 | 0.21 | Binding ≤ 10μM |
| PTN7-1-E | Protein-tyrosine Phosphatase LC-PTP (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.21 | Binding ≤ 10μM |
| PTPRC-1-E | Leukocyte Common Antigen (cluster #1 Of 3), Eukaryotic | Eukaryotes | 610 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUS1_HUMAN | P28562 | Dual Specificity Protein Phosphatase 1, Human | 780 | 0.22 | Binding ≤ 1μM |
| DUS3_HUMAN | P51452 | Dual Specificity Protein Phosphatase 3, Human | 78 | 0.26 | Binding ≤ 1μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 610 | 0.22 | Binding ≤ 1μM |
| MPIP1_HUMAN | P30304 | Dual Specificity Phosphatase Cdc25A, Human | 3400 | 0.20 | Binding ≤ 10μM |
| DUS1_HUMAN | P28562 | Dual Specificity Protein Phosphatase 1, Human | 780 | 0.22 | Binding ≤ 10μM |
| DUS3_HUMAN | P51452 | Dual Specificity Protein Phosphatase 3, Human | 78 | 0.26 | Binding ≤ 10μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 610 | 0.22 | Binding ≤ 10μM |
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 1800 | 0.21 | Binding ≤ 10μM |
| PTN7_HUMAN | P35236 | Protein-tyrosine Phosphatase LC-PTP, Human | 1500 | 0.21 | Binding ≤ 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 | |
| ERKs are inactivated | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Other semaphorin interactions | |
| p53-Independent DNA Damage Response | |
| Phosphorylation of CD3 and TCR zeta chains | |
| Polo-like kinase mediated events | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
No pre-computed analogs available. Try a structural similarity search.