| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2005 | 30 | Yes |
Popular Name: 2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid 2-[(2-{[(benzyloxy)carbonyl]amin…
| 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) | 2.66 | 6.77 | -51.32 | 3 | 8 | -1 | 128 | 413.45 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-1-E | Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 220 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 220 | 0.31 | Binding ≤ 1μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 220 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
