| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 35 | Yes |
Popular Name: (2S)-2-[[(2R)-2-(benzylamino)propanoyl]amino]-3-(1H-indol-3-yl)-N-phenethyl-propanamide (2S)-2-[[(2R)-2-(benzylamino)pro…
| 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) | 3.78 | 11.44 | -47.92 | 5 | 6 | 1 | 91 | 469.609 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 10.15 | -22.27 | 4 | 6 | 0 | 86 | 468.601 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3-1-E | Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 46 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3_HUMAN | P32247 | Bombesin Like Receptor 3, Human | 46 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
