| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 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 | -3.45 | -14.71 | 2 | 6 | 0 | 73 | 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 | 86 | 0.33 | Binding ≤ 10μM |
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.38 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5000 | 0.25 | Binding ≤ 10μM |
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.41 | Functional ≤ 10μM |
| KCND3-1-E | Voltage-gated Potassium Channel Subunit Kv4.3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 214 | 0.31 | Functional ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.25 | Functional ≤ 10μM |
| KCNQ1-1-E | Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 214 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 2 | 0.41 | Binding ≤ 1μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 230 | 0.31 | Binding ≤ 1μM |
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 2 | 0.41 | Binding ≤ 1μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 1.1 | 0.42 | Binding ≤ 1μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 12 | 0.37 | Binding ≤ 1μM |
| CCKAR_HUMAN | P32238 | Cholecystokinin A Receptor, Human | 2 | 0.41 | Binding ≤ 10μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 230 | 0.31 | Binding ≤ 10μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 12 | 0.37 | Binding ≤ 10μM |
| GASR_MOUSE | P56481 | Cholecystokinin B Receptor, Mouse | 2 | 0.41 | Binding ≤ 10μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 1.1 | 0.42 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 5000 | 0.25 | Binding ≤ 10μM |
| GASR_HUMAN | P32239 | Cholecystokinin B Receptor, Human | 2 | 0.41 | Functional ≤ 10μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 39 | 0.35 | Functional ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 5000 | 0.25 | Functional ≤ 10μM |
| KCND3_HUMAN | Q9UK17 | Voltage-gated Potassium Channel Subunit Kv4.3, Human | 214 | 0.31 | Functional ≤ 10μM |
| KCNQ1_CAVPO | O70344 | Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig | 214 | 0.31 | 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 |
