| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 33 | No |
Popular Name: 3-oxo-olean-12-en-28-oic acid 3-oxo-olean-12-en-28-oic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17990-42-0 , [17990-42-0]
| 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) | 6.54 | 14.58 | -52.43 | 0 | 3 | -1 | 57 | 453.687 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 6.54 | 12.61 | -7.5 | 1 | 3 | 0 | 54 | 454.695 | 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 | 5320 | 0.22 | Binding ≤ 10μM |
| PTN2-2-E | T-cell Protein-tyrosine Phosphatase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5630 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 3500 | 0.23 | Binding ≤ 10μM |
| PTN2_HUMAN | P17706 | T-cell Protein-tyrosine Phosphatase, Human | 5630 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
