| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 24 | 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) | 3.12 | 5.13 | -52.58 | 0 | 6 | -1 | 78 | 344.416 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 5.81 | -49.53 | 2 | 6 | 1 | 77 | 346.432 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 5.18 | -77.15 | 1 | 6 | 0 | 79 | 345.424 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 55 | 0.42 | Binding ≤ 10μM |
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 570 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 15 | 0.46 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 150 | 0.40 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 15 | 0.46 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 150 | 0.40 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 570 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
