Ligand Data
Ligand
| Name | CHEMBL2112692 |
| SMILES | C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(=O)O)c1ccccc1 |
| InChIKey | QCVHVATWUZWEJD-LVHZCVTNSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 13 |
| Molecular weight | 628.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| CCK2 | GASR | Mouse | Cholecystokinin | A (Rhodopsin) | 160 | 160 | 160 | |||
| CCK1 | CCKAR | Rat | Cholecystokinin | A (Rhodopsin) | 2500 | 2500 | 2500 | |||