Ligand Data

Ligand

id 79479
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