| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 30 | Yes |
| 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) | 3.62 | 8.3 | -16.74 | 2 | 6 | 0 | 74 | 398.466 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.32 | Binding ≤ 10μM |
| KCND3-1-E | Voltage-gated Potassium Channel Subunit Kv4.3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.23 | Functional ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.23 | Functional ≤ 10μM |
| KCNQ1-1-E | Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 3 | 0.40 | Binding ≤ 1μM |
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 150 | 0.32 | Binding ≤ 1μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 150 | 0.32 | Binding ≤ 1μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 3 | 0.40 | Binding ≤ 10μM |
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 150 | 0.32 | Binding ≤ 10μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 150 | 0.32 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 10000 | 0.23 | Functional ≤ 10μM |
| KCND3_HUMAN | Q9UK17 | Voltage-gated Potassium Channel Subunit Kv4.3, Human | 10000 | 0.23 | Functional ≤ 10μM |
| KCNQ1_CAVPO | O70344 | Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig | 10000 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Peptide ligand-binding receptors | |
| Voltage gated Potassium channels |
