| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 23 | No |
Popular Name: N-(6-methyl-3H-benzothiazol-2-ylidene)-4-nitro-benzenesulfonamide N-(6-methyl-3H-benzothiazol-2-yl…
| 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) | 3.64 | 6.59 | -42 | 0 | 7 | -1 | 107 | 348.385 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.57 | 6.93 | -10.87 | 1 | 7 | 0 | 108 | 349.393 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1-2-E | Protein-tyrosine Phosphatase 1B (cluster #2 Of 4), Eukaryotic | Eukaryotes | 7100 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 7100 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
