| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 31 | 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) | 1.74 | 6.34 | -63.89 | 7 | 10 | 1 | 143 | 426.501 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 6.72 | -113.81 | 8 | 10 | 2 | 145 | 427.509 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KSYK-1-E | Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.27 | Binding ≤ 10μM |
| ZAP70-1-E | Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.30 | Binding ≤ 10μM |
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 58 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 6 | 0.37 | Binding ≤ 1μM |
| ZAP70_HUMAN | P43403 | Tyrosine-protein Kinase ZAP-70, Human | 230 | 0.30 | Binding ≤ 1μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 6 | 0.37 | Binding ≤ 10μM |
| ZAP70_HUMAN | P43403 | Tyrosine-protein Kinase ZAP-70, Human | 230 | 0.30 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 58 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| DAP12 signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCGR activation | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin-2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| Translocation of ZAP-70 to Immunological synapse |
