| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 38 | Yes |
None
| 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) | 4.61 | 10.99 | -135.31 | 5 | 7 | 3 | 73 | 514.694 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 9.94 | -90.2 | 4 | 7 | 2 | 72 | 513.686 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.61 | 7.39 | -52.05 | 3 | 7 | 1 | 70 | 512.678 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACK1-1-E | Tyrosine Kinase Non-receptor Protein 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 170 | 0.25 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 110 | 0.26 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 54 | 0.27 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 210 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACK1_HUMAN | Q07912 | Tyrosine Kinase Non-receptor Protein 2, Human | 170 | 0.25 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 110 | 0.26 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 54 | 0.27 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 210 | 0.25 | Binding ≤ 1μM |
| ACK1_HUMAN | Q07912 | Tyrosine Kinase Non-receptor Protein 2, Human | 170 | 0.25 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 110 | 0.26 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 54 | 0.27 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 210 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downstream TCR signaling | |
| EPHA-mediated growth cone collapse | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Integrin cell surface interactions | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-7 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Neurophilin interactions with VEGF and VEGFR | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Regulation of KIT signaling | |
| Signaling by SCF-KIT | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
![Furo[2,3-b]pyridine](http://zinc12.docking.org/img/rings/52254.gif)
![[3-phenyl-2-[4-(2-pyrrolidinoethoxy)phenyl]furo[2,3-b]pyridin-4-yl]-(2-piperazinoethyl)amine](http://zinc12.docking.org/img/rings/139018.gif)
