| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 37 | 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) | 4.22 | 8.93 | -20.37 | 1 | 9 | 0 | 102 | 506.507 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 780 | 0.23 | Binding ≤ 10μM |
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| EDNRB-1-E | Endothelin Receptor ET-B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 480 | 0.24 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 1 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_MOUSE | Q61614 | Endothelin Receptor ET-A, Mouse | 0.3 | 0.36 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.44 | 0.35 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.17 | 0.37 | Binding ≤ 1μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 120 | 0.26 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.44 | 0.35 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.17 | 0.37 | Binding ≤ 10μM |
| EDNRA_MOUSE | Q61614 | Endothelin Receptor ET-A, Mouse | 0.3 | 0.36 | Binding ≤ 10μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 120 | 0.26 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 0.3 | 0.36 | Functional ≤ 10μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 480 | 0.24 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 1 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
