| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 41 | No |
Popular Name: [(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-dihydroxy-BLAHdione [(3S)-3-(dimethylamino)pyrrolidi…
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) | 2.02 | 7.98 | -69.95 | 4 | 10 | 1 | 125 | 552.611 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 5.57 | -23.88 | 3 | 10 | 0 | 124 | 551.603 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 15 | 0.27 | Binding ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 57 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 15 | 0.27 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 15 | 0.27 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1600 | 0.20 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-7 signaling |
