| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 35 | No |
Popular Name: Oleana-2,12-dieno[2,3-d]isoxazol-28-oic acid Oleana-2,12-dieno[2,3-d]isoxazol…
Find On: PubMed — Wikipedia — Google
CAS Number: 218600-48-7
| 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) | 7.28 | 14.93 | -54.88 | 0 | 4 | -1 | 66 | 478.697 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 7.28 | 12.97 | -9.02 | 1 | 4 | 0 | 63 | 479.705 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2600 | 0.22 | Binding ≤ 10μM |
| PTN2-2-E | T-cell Protein-tyrosine Phosphatase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8440 | 0.20 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 2600 | 0.22 | Binding ≤ 10μM |
| PTN2_HUMAN | P17706 | T-cell Protein-tyrosine Phosphatase, Human | 8440 | 0.20 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
No pre-computed analogs available. Try a structural similarity search.