Ligand Data

Ligand

id 102991
Name CHEMBL3040086
SMILES CS(=O)(=O)c1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)/C=C/c3ccc(F)cc3)CC1)CC2
InChIKey XWMKZWFBKLJGKQ-NUNSKJLSSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight 498.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max