| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2010 | 42 | 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) | 5.66 | 13.62 | -45.99 | 3 | 10 | 1 | 104 | 615.224 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.66 | 13.45 | -47.5 | 3 | 10 | 1 | 104 | 615.224 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.66 | 11.26 | -12.29 | 2 | 10 | 0 | 103 | 614.216 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.66 | 14.26 | -96.85 | 4 | 10 | 2 | 105 | 616.232 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antineoplastic | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1048 | 0.20 | Binding ≤ 10μM |
| ALK-1-E | ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.28 | Binding ≤ 10μM |
| BMX-1-E | Tyrosine-protein Kinase BMX (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1578 | 0.19 | Binding ≤ 10μM |
| EPHB4-1-E | Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.20 | Binding ≤ 10μM |
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1216 | 0.20 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 554 | 0.21 | Binding ≤ 10μM |
| INSR-1-E | Insulin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.20 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1505 | 0.19 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1308 | 0.20 | Binding ≤ 10μM |
| MET-1-E | Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1667 | 0.19 | Binding ≤ 10μM |
| NTRK2-1-E | Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2018 | 0.19 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3220 | 0.18 | Binding ≤ 10μM |
| RET-1-E | Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1385 | 0.20 | Binding ≤ 10μM |
| RON-1-E | Macrophage-stimulating Protein Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1634 | 0.19 | Binding ≤ 10μM |
| SYK-1-E | Lysyl-tRNA Synthetase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 286 | 0.22 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 12 | 0.26 | Binding ≤ 10μM |
| TYK2-1-E | Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2309 | 0.19 | Binding ≤ 10μM |
| VGFR1-1-E | Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 872 | 0.20 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2123 | 0.19 | Binding ≤ 10μM |
| ZAP70-1-E | Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1598 | 0.19 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1146 | 0.20 | Functional ≤ 10μM |
| Z80036-1-O | BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other | Other | 2751 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 10 | 0.27 | Binding ≤ 1μM |
| ALK_MOUSE | P97793 | ALK Tyrosine Kinase Receptor, Mouse | 10 | 0.27 | Binding ≤ 1μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 1000 | 0.20 | Binding ≤ 1μM |
| SYK_HUMAN | Q15046 | Lysyl-tRNA Synthetase, Human | 286 | 0.22 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 3 | 0.28 | Binding ≤ 1μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 12 | 0.26 | Binding ≤ 1μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 872 | 0.20 | Binding ≤ 1μM |
| ALK_MOUSE | P97793 | ALK Tyrosine Kinase Receptor, Mouse | 10 | 0.27 | Binding ≤ 10μM |
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 10 | 0.27 | Binding ≤ 10μM |
| EPHB4_HUMAN | P54760 | Ephrin Type-B Receptor 4, Human | 1300 | 0.20 | Binding ≤ 10μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 1216 | 0.20 | Binding ≤ 10μM |
| MET_HUMAN | P08581 | Hepatocyte Growth Factor Receptor, Human | 1667 | 0.19 | Binding ≤ 10μM |
| INSR_RAT | P15127 | Insulin Receptor, Rat | 1200 | 0.20 | Binding ≤ 10μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 1000 | 0.20 | Binding ≤ 10μM |
| SYK_HUMAN | Q15046 | Lysyl-tRNA Synthetase, Human | 1474 | 0.19 | Binding ≤ 10μM |
| RON_HUMAN | Q04912 | Macrophage-stimulating Protein Receptor, Human | 1634 | 0.19 | Binding ≤ 10μM |
| NTRK2_HUMAN | Q16620 | Neurotrophic Tyrosine Kinase Receptor Type 2, Human | 2018 | 0.19 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 3220 | 0.18 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 1048 | 0.20 | Binding ≤ 10μM |
| BMX_HUMAN | P51813 | Tyrosine-protein Kinase BMX, Human | 1578 | 0.19 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 1505 | 0.19 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 1308 | 0.20 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 3 | 0.28 | Binding ≤ 10μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 1385 | 0.20 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 1167 | 0.20 | Binding ≤ 10μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 2309 | 0.19 | Binding ≤ 10μM |
| ZAP70_HUMAN | P43403 | Tyrosine-protein Kinase ZAP-70, Human | 1598 | 0.19 | Binding ≤ 10μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 872 | 0.20 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 2123 | 0.19 | Binding ≤ 10μM |
| Z80036 | Z80036 | BaF3 (IL-3-dependent Pro-B-cells) | 2751 | 0.19 | Functional ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 1146 | 0.20 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| Apoptotic cleavage of cellular proteins | |
| CD28 co-stimulation | |
| CDO in myogenesis | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| Cytosolic tRNA aminoacylation | |
| Downstream signal transduction | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| Insulin receptor recycling | |
| Integrin cell surface interactions | |
| Interferon alpha/beta signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| IRS activation | |
| Mitochondrial tRNA aminoacylation | |
| Neurophilin interactions with VEGF and VEGFR | |
| NGF-independant TRKA activation | |
| PECAM1 interactions | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Prolactin receptor signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| RMTs methylate histone arginines | |
| Role of Abl in Robo-Slit signaling | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Sema4D mediated inhibition of cell attachment and migration | |
| SHC activation | |
| Signal attenuation | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by ERBB2 | |
| Signaling by FGFR mutants | |
| Signaling by Insulin receptor | |
| Signaling by Leptin | |
| Signaling by PDGF | |
| 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.