| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 42 | No |
| 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) | -0.18 | 4.32 | -99.79 | 9 | 12 | 0 | 214 | 596.71 | 16 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 3.98 | -72.97 | 8 | 12 | -1 | 212 | 595.702 | 16 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 3.2 | -66.38 | 10 | 12 | 1 | 211 | 597.718 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 93 | 0.23 | Binding ≤ 1μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 19.5 | 0.26 | Binding ≤ 1μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 19.5 | 0.26 | Binding ≤ 10μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 93 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Peptide ligand-binding receptors |
