| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 34 | Yes |
Popular Name: N-[(1R)-1-benzyl-2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-N,3,5-trimethyl-benzamide N-[(1R)-1-benzyl-2-[2-(1H-indol-…
| 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) | 4.58 | 13.65 | -18.79 | 2 | 5 | 0 | 65 | 453.586 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRB-1-E | Endothelin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.34 | Binding ≤ 10μM |
| Z50591-3-O | Bos Taurus (cluster #3 Of 3), Other | Other | 800 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50591 | Z50591 | Bos Taurus | 800 | 0.25 | Binding ≤ 1μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 5 | 0.34 | Binding ≤ 1μM |
| Z50591 | Z50591 | Bos Taurus | 800 | 0.25 | Binding ≤ 10μM |
| EDNRB_PIG | P35463 | Endothelin Receptor ET-B, Pig | 5 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
