| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 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) | -0.71 | -2.49 | -50.84 | 6 | 5 | 1 | 97 | 197.214 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -3.68 | -44.33 | 5 | 5 | 0 | 104 | 196.206 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | -2.82 | -14.44 | 5 | 5 | 0 | 96 | 196.206 | 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 |
