| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 33 | 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) | 3.65 | 9.86 | -50.06 | 1 | 8 | 0 | 93 | 454.523 | 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 | 7 | 0.35 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2900 | 0.23 | Binding ≤ 10μM |
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.34 | Functional ≤ 10μM |
| EDNRB-1-E | Endothelin Receptor ET-B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 6.63 | 0.35 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 21.3 | 0.33 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 6.63 | 0.35 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 21.3 | 0.33 | Binding ≤ 10μM |
| EDNRB_HUMAN | P24530 | Endothelin Receptor ET-B, Human | 4570 | 0.23 | Binding ≤ 10μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 2900 | 0.23 | Binding ≤ 10μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 9.12 | 0.34 | Functional ≤ 10μM |
| EDNRB_RAT | P21451 | Endothelin Receptor ET-B, Rat | 9.12 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
