| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 39 | 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) | 6.65 | 16.26 | -45.17 | 1 | 8 | 0 | 93 | 538.685 | 14 | ↓ |
| Hi High (pH 8-9.5) | 6.65 | 14.59 | -51.8 | 0 | 8 | -1 | 91 | 537.677 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.32 | Binding ≤ 10μM |
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 313 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.56 | 0.33 | Binding ≤ 1μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 313 | 0.23 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 0.56 | 0.33 | Binding ≤ 10μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 313 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
