| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 32 | Yes |
| 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) | 2.00 | 8.12 | -50.25 | 5 | 9 | 1 | 124 | 428.524 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 8.06 | -51.54 | 5 | 9 | 1 | 124 | 428.524 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 5.74 | -17.27 | 4 | 9 | 0 | 123 | 427.516 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8000 | 0.22 | Binding ≤ 10μM |
| PTN11-1-E | Protein-tyrosine Phosphatase 2C (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5000 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 2900 | 0.24 | Binding ≤ 10μM |
| PTN11_HUMAN | Q06124 | Protein-tyrosine Phosphatase 2C, Human | 5000 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| CTLA4 inhibitory signaling | |
| Downstream signal transduction | |
| FRS2-mediated cascade | |
| GAB1 signalosome | |
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Interferon alpha/beta signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Negative regulation of FGFR signaling | |
| Netrin mediated repulsion signals | |
| PD-1 signaling | |
| PECAM1 interactions | |
| PI-3K cascade | |
| PI3K Cascade | |
| PIP3 activates AKT signaling | |
| Platelet sensitization by LDL | |
| Prolactin receptor signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Spry regulation of FGF signaling | |
| Tie2 Signaling |
No pre-computed analogs available. Try a structural similarity search.