| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 28 | Yes |
Popular Name: N-(3,4-dimethylisoxazol-5-yl)-2-[4-(2,2-dimethylpropyl)phenyl]benzenesulfonamide N-(3,4-dimethylisoxazol-5-yl)-2-…
| 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) | 5.54 | 8.88 | -52.03 | 0 | 5 | -1 | 74 | 397.52 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.54 | 9.18 | -15.9 | 1 | 5 | 0 | 72 | 398.528 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 110 | 0.35 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4100 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 110 | 0.35 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 110 | 0.35 | Binding ≤ 10μM |
| EDNRB_RAT | P21451 | Endothelin Receptor ET-B, Rat | 4100 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
