| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2009 | 32 | 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) | 3.42 | 7.46 | -19.94 | 3 | 9 | 0 | 104 | 473.99 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 9.79 | -64.4 | 4 | 9 | 1 | 105 | 474.998 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 10.45 | -106.88 | 5 | 9 | 2 | 107 | 476.006 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4 | 0.37 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.37 | Binding ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 2 | 0.38 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 82 | 0.31 | Functional ≤ 10μM |
| Z81017-1-O | WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 270 | 0.29 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 170 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 4 | 0.37 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 4 | 0.37 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 4 | 0.37 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 4 | 0.37 | Binding ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 2 | 0.38 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 170 | 0.30 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 82 | 0.31 | Functional ≤ 10μM |
| Z81017 | Z81017 | WiDr (Colon Adenocarcinoma Cells) | 270 | 0.29 | Functional ≤ 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 | |
| Interleukin-2 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| 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 | |
| Signaling by SCF-KIT | |
| Translocation of ZAP-70 to Immunological synapse |
