| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 22nd, 2009 | 33 | No |
Popular Name: DNC006683 DNC006683
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) | 6.73 | 12.37 | -55.78 | 1 | 3 | -1 | 60 | 455.703 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 6.73 | 10.58 | -5.91 | 2 | 3 | 0 | 58 | 456.711 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-3-E | Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic | Eukaryotes | 5200 | 0.22 | Binding ≤ 10μM |
| Z80156-5-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other | Other | 8900 | 0.21 | Functional ≤ 10μM |
| Z80503-2-O | SNU1 (cluster #2 Of 2), Other | Other | 9300 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 5200 | 0.22 | Binding ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 8900 | 0.21 | Functional ≤ 10μM |
| Z80503 | Z80503 | SNU1 | 9300 | 0.21 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
