| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 30 | Yes |
| 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) | 2.81 | -2.52 | -56.15 | 0 | 8 | -1 | 102 | 409.418 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antihypertensive | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.38 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 16 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 6 | 0.38 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.8 | 0.42 | Binding ≤ 1μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 16 | 0.36 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 6 | 0.38 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.8 | 0.42 | Binding ≤ 10μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 16 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
