| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 31 | Yes |
Popular Name: 2-(4-benzyloxyphenyl)-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide 2-(4-benzyloxyphenyl)-N-(3,4-dim…
| 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) | 5.31 | 9.15 | -55.12 | 0 | 6 | -1 | 84 | 433.509 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.31 | 9.41 | -18.24 | 1 | 6 | 0 | 81 | 434.517 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 190 | 0.30 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8400 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 190 | 0.30 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 190 | 0.30 | Binding ≤ 10μM |
| EDNRB_RAT | P21451 | Endothelin Receptor ET-B, Rat | 8400 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
