| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 24 | No |
Popular Name: 4-(bicyclo[2.2.1]hept-2-ylamino)-3-({[(isopropylamino)carbonyl]amino}sulfonyl)pyridine 4-(bicyclo[2.2.1]hept-2-ylamino)…
| 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) | 1.87 | 1.39 | -57.68 | 3 | 7 | 0 | 108 | 352.46 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3-2-E | Bombesin Receptor Subtype-3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 510 | 0.37 | Binding ≤ 10μM |
| BRS3-2-E | Bombesin Receptor Subtype-3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 600 | 0.36 | Binding ≤ 10μM |
| BRS3-1-E | Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 220 | 0.39 | Functional ≤ 10μM |
| BRS3-1-E | Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 440 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BRS3_HUMAN | P32247 | Bombesin Like Receptor 3, Human | 600 | 0.36 | Binding ≤ 1μM |
| BRS3_HUMAN | P32247 | Bombesin Like Receptor 3, Human | 600 | 0.36 | Binding ≤ 10μM |
| BRS3_HUMAN | P32247 | Bombesin Like Receptor 3, Human | 220 | 0.39 | Functional ≤ 10μM |
| BRS3_MOUSE | O54798 | Bombesin Receptor Subtype-3, Mouse | 86 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
