Ligand Data

Ligand

id 129
Name INT-777
SMILES CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O
InChIKey NPBCMXATLRCCLF-VXFHMDSESA-N
Type small molecule
External Links
Structure pdb 7CFN 7CFN

Structure

Image temporarily not available

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight 450.7


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
GPBA gpbar_human Human Bile acid receptors Class A (Rhodopsin) 166.0 2656.5454545454545 13000.0
GPBA gpbar_mouse Mouse Bile acid receptors Class A (Rhodopsin) 360.0 360.0 360.0