| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2011 | 35 | 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) | 2.22 | 8.68 | -52.95 | 4 | 9 | 1 | 107 | 474.589 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.31 | Binding ≤ 10μM |
| ITK-1-E | Tyrosine-protein Kinase ITK/TSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.33 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.26 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 350 | 0.26 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.27 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 490 | 0.25 | Binding ≤ 10μM |
| M3K7-1-E | Mitogen-activated Protein Kinase Kinase Kinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 860 | 0.24 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 120 | 0.28 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 430 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K7_HUMAN | O43318 | Mitogen-activated Protein Kinase Kinase Kinase 7, Human | 860 | 0.24 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 200 | 0.27 | Binding ≤ 1μM |
| ITK_HUMAN | Q08881 | Tyrosine-protein Kinase ITK/TSK, Human | 7 | 0.33 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 370 | 0.26 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 350 | 0.26 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 490 | 0.25 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 20 | 0.31 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 120 | 0.28 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 430 | 0.25 | Binding ≤ 1μM |
| M3K7_HUMAN | O43318 | Mitogen-activated Protein Kinase Kinase Kinase 7, Human | 860 | 0.24 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 200 | 0.27 | Binding ≤ 10μM |
| ITK_HUMAN | Q08881 | Tyrosine-protein Kinase ITK/TSK, Human | 7 | 0.33 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 370 | 0.26 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 350 | 0.26 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 490 | 0.25 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 20 | 0.31 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 120 | 0.28 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 430 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of NF-kappaB in B cells | |
| Ca2+ pathway | |
| 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 | |
| Factors involved in megakaryocyte development and platelet production | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated NF-kB activation | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| Integrin cell surface interactions | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-1 signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| IRAK2 mediated activation of TAK1 complex | |
| IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Neurophilin interactions with VEGF and VEGFR | |
| NOD1/2 Signaling Pathway | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Prolactin receptor signaling | |
| Regulation of IFNG signaling | |
| Regulation of KIT signaling | |
| RMTs methylate histone arginines | |
| Signaling by ERBB2 | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated induction of TAK1 complex | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.