| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2010 | 40 | No |
Popular Name: (2,6-dimethylphenyl)-[4-(4-methylpiperazin-1-yl)anilino]BLAHone (2,6-dimethylphenyl)-[4-(4-methy…
| 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) | 6.12 | 20.42 | -49 | 2 | 9 | 1 | 85 | 531.644 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.12 | 18.06 | -13.32 | 1 | 9 | 0 | 84 | 530.636 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.12 | 21.17 | -124.39 | 3 | 9 | 2 | 86 | 532.652 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF-1-E | Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic | Eukaryotes | 540 | 0.22 | Binding ≤ 10μM |
| BTK-1-E | Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 410 | 0.22 | Binding ≤ 10μM |
| JAK3-2-E | Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 150 | 0.24 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 560 | 0.22 | Binding ≤ 10μM |
| KSYK-1-E | Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 200 | 0.23 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7 | 0.29 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 21 | 0.27 | Binding ≤ 10μM |
| MK10-1-E | C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7300 | 0.18 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 120 | 0.24 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 750 | 0.21 | Binding ≤ 10μM |
| TYK2-1-E | Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.21 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5100 | 0.19 | Binding ≤ 10μM |
| ZAP70-1-E | Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.20 | Binding ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 490 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 540 | 0.22 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 560 | 0.22 | Binding ≤ 1μM |
| BTK_HUMAN | Q06187 | Tyrosine-protein Kinase BTK, Human | 410 | 0.22 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 150 | 0.24 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 7 | 0.29 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 21 | 0.27 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 120 | 0.24 | Binding ≤ 1μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 200 | 0.23 | Binding ≤ 1μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 750 | 0.21 | Binding ≤ 1μM |
| MK10_HUMAN | P53779 | C-Jun N-terminal Kinase 3, Human | 7300 | 0.18 | Binding ≤ 10μM |
| BRAF_HUMAN | P15056 | Serine/threonine-protein Kinase B-raf, Human | 540 | 0.22 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 560 | 0.22 | Binding ≤ 10μM |
| BTK_HUMAN | Q06187 | Tyrosine-protein Kinase BTK, Human | 410 | 0.22 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 150 | 0.24 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 1600 | 0.20 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 21 | 0.27 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 120 | 0.24 | Binding ≤ 10μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 200 | 0.23 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 750 | 0.21 | Binding ≤ 10μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 1200 | 0.21 | Binding ≤ 10μM |
| ZAP70_HUMAN | P43403 | Tyrosine-protein Kinase ZAP-70, Human | 1500 | 0.20 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 5100 | 0.19 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1200 | 0.21 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the AP-1 family of transcription factors | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| ARMS-mediated activation | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation through the activation of Ras | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downstream TCR signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| Frs2-mediated activation | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interferon alpha/beta signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-6 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 Adhesion to exposed collagen | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of IFNA signaling | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| Signaling by ERBB2 | |
| Signaling by SCF-KIT | |
| Signalling to p38 via RIT and RIN | |
| Spry regulation of FGF signaling | |
| 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.