| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 33 | No |
Popular Name: 6-(3,3-diphenylpropyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxylic 6-(3,3-diphenylpropyl)-2-(oxaloa…
| 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) | 3.12 | 12.29 | -118.16 | 2 | 7 | -1 | 114 | 463.535 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5900 | 0.22 | Binding ≤ 10μM |
| PTPRA-1-E | Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5800 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 5900 | 0.22 | Binding ≤ 10μM |
| PTPRA_HUMAN | P18433 | Receptor-type Tyrosine-protein Phosphatase Alpha, Human | 5800 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| NCAM signaling for neurite out-growth | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
