| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2009 | 14 | 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) | 0.22 | 1.04 | -47.59 | 5 | 4 | 1 | 77 | 195.242 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | -0.52 | -48.54 | 3 | 4 | -1 | 82 | 193.226 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 0.71 | -12.39 | 4 | 4 | 0 | 75 | 194.234 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CSK-1-E | Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9500 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CSK_HUMAN | P41240 | Tyrosine-protein Kinase CSK, Human | 9500 | 0.50 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| GAB1 signalosome | |
| Integrin alphaIIb beta3 signaling | |
| PD-1 signaling | |
| Phosphorylation of CD3 and TCR zeta chains |
