| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 45 | 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) | 4.73 | 12.72 | -22.45 | 1 | 11 | 0 | 113 | 612.662 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.73 | 13.14 | -48.51 | 2 | 11 | 1 | 114 | 613.67 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.73 | 14.99 | -55.71 | 2 | 11 | 1 | 114 | 613.67 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.73 | 15.41 | -100.59 | 3 | 11 | 2 | 115 | 614.678 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-1-E | Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 426 | 0.20 | Binding ≤ 10μM |
| BTK-1-E | Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 126 | 0.21 | Binding ≤ 10μM |
| HGF-1-E | Hepatocyte Growth Factor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 69 | 0.22 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 33 | 0.23 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.27 | Binding ≤ 10μM |
| MK09-1-E | C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4700 | 0.17 | Binding ≤ 10μM |
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7800 | 0.16 | Binding ≤ 10μM |
| RON-1-E | Macrophage-stimulating Protein Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.28 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 221 | 0.21 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 83 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HGF_HUMAN | P14210 | Hepatocyte Growth Factor, Human | 59 | 0.22 | Binding ≤ 1μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 3.4 | 0.26 | Binding ≤ 1μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 1.3 | 0.28 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 426 | 0.20 | Binding ≤ 1μM |
| BTK_HUMAN | Q06187 | Tyrosine-protein Kinase BTK, Human | 126 | 0.21 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 33 | 0.23 | Binding ≤ 1μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 221 | 0.21 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 83 | 0.22 | Binding ≤ 1μM |
| MK09_HUMAN | P45984 | C-Jun N-terminal Kinase 2, Human | 4700 | 0.17 | Binding ≤ 10μM |
| HGF_HUMAN | P14210 | Hepatocyte Growth Factor, Human | 59 | 0.22 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 3.4 | 0.26 | Binding ≤ 10μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 1.3 | 0.28 | Binding ≤ 10μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 426 | 0.20 | Binding ≤ 10μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 7800 | 0.16 | Binding ≤ 10μM |
| BTK_HUMAN | Q06187 | Tyrosine-protein Kinase BTK, Human | 126 | 0.21 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 33 | 0.23 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 221 | 0.21 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 83 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| 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 | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| Interleukin-7 signaling | |
| JNK (c-Jun kinases) phosphorylation and activation mediated by activated human | |
| MyD88:Mal cascade initiated on plasma membrane | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Neurophilin interactions with VEGF and VEGFR | |
| Oxidative Stress Induced Senescence | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PIP3 activates AKT signaling | |
| Platelet degranulation | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Sema4D mediated inhibition of cell attachment and migration | |
| Signaling by SCF-KIT | |
| Tie2 Signaling | |
| 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.