| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2006 | 30 | Yes |
Popular Name: benzyl benzyl
| 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) | 6.04 | -2.79 | -12.6 | 3 | 6 | 0 | 83 | 407.514 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2120 | 0.26 | Binding ≤ 10μM |
| NMBR-1-E | Neuromedin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6100 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 2120 | 0.26 | Binding ≤ 10μM |
| NMBR_HUMAN | P28336 | Neuromedin B Receptor, Human | 6100 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Peptide ligand-binding receptors |
