| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2010 | 45 | No |
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) | 5.37 | 17.75 | -60.93 | 5 | 10 | 1 | 124 | 617.656 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.37 | 15.36 | -15.34 | 4 | 10 | 0 | 123 | 616.648 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.37 | 17.83 | -102.62 | 6 | 10 | 2 | 126 | 618.664 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCK-1-E | Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 27 | 0.24 | Binding ≤ 10μM |
| INSR-1-E | Insulin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 746 | 0.19 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7 | 0.25 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.26 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 39 | 0.23 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 66 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 746 | 0.19 | Binding ≤ 1μM |
| HCK_HUMAN | P08631 | Tyrosine-protein Kinase HCK, Human | 27 | 0.24 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 24 | 0.24 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 5 | 0.26 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 233 | 0.21 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 66 | 0.22 | Binding ≤ 1μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 746 | 0.19 | Binding ≤ 10μM |
| HCK_HUMAN | P08631 | Tyrosine-protein Kinase HCK, Human | 27 | 0.24 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 24 | 0.24 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 5 | 0.26 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 233 | 0.21 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 66 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| 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 | |
| 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 | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| Insulin receptor recycling | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| IRS activation | |
| 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 | |
| Platelet Adhesion to exposed collagen | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| SHC activation | |
| Signal attenuation | |
| Signaling by ERBB2 | |
| Signaling by Insulin receptor | |
| 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 |
No pre-computed analogs available. Try a structural similarity search.
![3-(4-piperidyloxy)-N-[3-[[1-(4-pyrimidyl)benzimidazol-2-yl]amino]phenyl]benzamide](http://zinc12.docking.org/img/rings/7914.gif)